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Author  |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Tunneling, conductance, and wavevector filtering through magnetic barriers in bilayer graphene |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
79 |
Issue |
3 |
Pages |
035409,1-035409,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We evaluate the transmission and conductance through magnetic barrier structures in bilayer graphene. In particular we consider a magnetic step, single and double barriers, -function barriers, as well as barrier structures that have average magnetic field equal to zero. The transmission depends strongly on the direction of the incident electron or hole wavevector and gives the possibility to construct a direction-dependent wavevector filter. The results contrast sharply with previous results on single-layer graphene. In general, the angular range of perfect transmission becomes drastically wider and the gaps narrower. This perfect transmission range decreases with the number of barriers, the barrier width, and the magnetic field. Depending on the structure, a variety of transmission resonances occur that are reflected in the conductance through the structure. |
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Place of Publication |
Lancaster, Pa |
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Language |
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Wos |
000262978200107 |
Publication Date |
2009-01-14 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
80 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:75983 |
Serial |
3762 |
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| Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Wavevector filtering through single-layer and bilayer graphene with magnetic barrier structures |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
93 |
Issue |
24 |
Pages |
242103,1-242103,3 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We show that the angular range of the transmission through magnetic barrier structures can be efficiently controlled in single-layer and bilayer graphenes and this renders the structures efficient wavevector filters. As the number of magnetic barriers increases, this range shrinks, the gaps in the transmission versus energy become wider, and the conductance oscillates with the Fermi energy. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000261896400032 |
Publication Date |
2008-12-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
91 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2008 IF: 3.726 |
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Call Number |
UA @ lucian @ c:irua:75931 |
Serial |
3910 |
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Author |
Masir, M.R.; Vasilopoulos, P.; Matulis, A.; Peeters, F.M. |
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Title |
Angular confinement and direction-dependent transmission in graphene nanostructures with magnetic barriers |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
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Volume |
1199 |
Issue |
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Pages |
363-364 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We evaluate the transmission through magnetic barriers in graphene-based nanostructures. Several particular cases are considered: a magnetic step, single and double barriers, delta -function barriers as well as barrier structures with inhomogeneous magnetic field profiles but with average magnetic field equal to zero. The transmission exhibits a strong dependence on the direction of the incident wave vector. In general the resonant structure of the transmission is significantly more pronounced for (Dirac) electrons with linear spectrum compared to that for electrons with a parabolic one. |
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Place of Publication |
New York |
Editor |
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Wos |
000281590800171 |
Publication Date |
2010-01-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:84892 |
Serial |
115 |
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| Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Matulis, A.; Peeters, F.M. |
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Title |
Direction-dependent tunneling through nanostructured magnetic barriers in graphene |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
77 |
Issue |
23 |
Pages |
235443,1-11 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000257289500133 |
Publication Date |
2008-06-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
212 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
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Call Number |
UA @ lucian @ c:irua:69639 |
Serial |
727 |
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| Permanent link to this record |
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Author |
Masir, M.R.; Peeters, F.M. |
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Title |
Scattering of Dirac electrons by a random array of magnetic flux tubes |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of computational electronics |
Abbreviated Journal |
J Comput Electron |
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Volume |
12 |
Issue |
2 |
Pages |
115-122 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The scattering of two-dimensional (2D) massless electrons as presented in graphene in the presence of a random array of circular magnetic flux tubes is investigated. The momentum relaxation time and the Hall factor are obtained using optical theorem techniques for scattering. Electrons with energy close to those of the Landau levels of the flux tubes exhibit resonant scattering and have a long life-time to reside inside the magnetic flux tube. These resonances appear as sharp structures in the Hall factor and the magneto-resistance. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
Editor |
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Language |
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Wos |
000320044900007 |
Publication Date |
2013-02-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1569-8025;1572-8137; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.526 |
Times cited |
2 |
Open Access |
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Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-Vl). We acknowledge fruitful discussions with A. Matulis. ; |
Approved |
Most recent IF: 1.526; 2013 IF: 1.372 |
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Call Number |
UA @ lucian @ c:irua:109615 |
Serial |
2950 |
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| Permanent link to this record |
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Author |
Masir, M.R.; Moldovan, D.; Peeters, F.M. |
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Title |
Pseudo magnetic field in strained graphene : revisited |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
175 |
Issue |
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Pages |
76-82 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We revisit the theory of the pseudo magnetic field as induced by strain in graphene using the tight- binding approach. A systematic expansion of the hopping parameter and the deformation of the lattice vectors is presented from which we obtain an expression for the pseudo magnetic field for low energy electrons. We generalize and discuss previous results and propose a novel effective Hamiltonian. The contributions of the different terms to the pseudo field expression are investigated for a model triaxial strain profile and are compared with the full solution. Our work suggests that the previous proposed pseudo magnetic field expression is valid up to reasonably high strain (15%) and there is no K-dependent pseudo-magnetic field. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000329538200010 |
Publication Date |
2013-04-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0038-1098; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.554 |
Times cited |
57 |
Open Access |
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Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EURO- CORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem programme of the Flemish government. |
Approved |
Most recent IF: 1.554; 2013 IF: 1.698 |
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Call Number |
UA @ lucian @ c:irua:114805 |
Serial |
2737 |
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| Permanent link to this record |
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Author |
Masir, M.R.; Matulis, A.; Peeters, F.M. |
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Title |
Quasibound states of Schrödinger and Dirac electrons in a magnetic quantum dot |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
79 |
Issue |
15 |
Pages |
155451,1-155451,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The properties of a two-dimensional electron are investigated in the presence of a circular step magnetic-field profile. Both electrons with parabolic dispersion as well as Dirac electrons with linear dispersion are studied. We found that in such a magnetic quantum dot no electrons can be confined. Nevertheless close to the Landau levels quasibound states can exist with a rather long lifetime. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000265944200140 |
Publication Date |
2009-04-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
55 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:77026 |
Serial |
2800 |
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| Permanent link to this record |
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Author |
Masir, M.R.; Matulis, A.; Peeters, F.M. |
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Title |
Scattering of Dirac electrons by circular mass barriers : valley filter and resonant scattering |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
24 |
Pages |
245413-245413,9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The scattering of two-dimensional (2D) massless Dirac electrons is investigated in the presence of a random array of circular mass barriers. The inverse momentum relaxation time and the Hall factor are calculated and used to obtain parallel and perpendicular resistivity components within linear transport theory. We found a nonzero perpendicular resistivity component which has opposite sign for electrons in the different K and K′ valleys. This property can be used for valley filter purposes. The total cross section for scattering on penetrable barriers exhibits resonances due to the presence of quasibound states in the barriers that show up as sharp gaps in the cross section while for Schrödinger electrons they appear as peaks. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000297934500008 |
Publication Date |
2011-12-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
32 |
Open Access |
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Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:94383 |
Serial |
2951 |
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Author |
Masenelli-Varlot, K.; Malchere, A.; Ferreira, J.; Heidari Mezerji, H.; Bals, S.; Messaoudi, C.; Garrido, S.M. |
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Title |
Wet-STEM tomography : principles, potentialities and limitations |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
20 |
Issue |
2 |
Pages |
366-375 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The characterization of biological and inorganic materials by determining their three-dimensional structure in conditions closer to their native state is a major challenge of technological research. Environmental scanning electron microscopy (ESEM) provides access to the observation of hydrated samples in water environments. Here, we present a specific device for ESEM in the scanning transmission electron microscopy mode, allowing the acquisition of tilt-series suitable for tomographic reconstructions. The resolution which can be obtained with this device is first determined. Then, we demonstrate the feasibility of tomography on wet materials. The example studied here is hydrophilic mesoporous silica (MCM-41). Finally, the minimum thickness of water which can be detected is calculated from Monte Carlo simulations and compared with the resolution expected in the tomograms. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge, Mass. |
Editor |
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Language |
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Wos |
000337304700005 |
Publication Date |
2014-02-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1431-9276;1435-8115; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.891 |
Times cited |
9 |
Open Access |
OpenAccess |
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Notes |
IAP-PAI; European Research Council under the 7th Framework Program (FP7); ERC grant no. 335078-COLOURATOMS.; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 1.891; 2014 IF: 1.877 |
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Call Number |
UA @ lucian @ c:irua:118411 |
Serial |
3915 |
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Author |
Mary Joy, R.; Pobedinskas, P.; Baule, N.; Bai, S.; Jannis, D.; Gauquelin, N.; Pinault-Thaury, M.-A.; Jomard, F.; Sankaran, K.J.; Rouzbahani, R.; Lloret, F.; Desta, D.; D’Haen, J.; Verbeeck, J.; Becker, M.F.; Haenen, K. |
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Title |
The effect of microstructure and film composition on the mechanical properties of linear antenna CVD diamond thin films |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Materialia |
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Volume |
264 |
Issue |
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Pages |
119548 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
This study reports the impact of film microstructure and composition on the Young’s modulus and residual stress in nanocrystalline diamond (NCD) thin films ( thick) grown on silicon substrates using a linear antenna microwave plasma-enhanced chemical vapor deposition (CVD) system. Combining laser acoustic wave spectroscopy to determine the elastic properties with simple wafer curvature measurements, a straightforward method to determine the intrinsic stress in NCD films is presented. Two deposition parameters are varied: (1) the substrate temperature from 400 °C to 900 °C, and (2) the [P]/[C] ratio from 0 ppm to 8090 ppm in the H2/CH4/CO2/PH3 diamond CVD plasma. The introduction of PH3 induces a transition in the morphology of the diamond film, shifting from NCD with larger grains to ultra-NCD with a smaller grain size, concurrently resulting in a decrease in Young’s modulus. Results show that the highest Young’s modulus of (113050) GPa for the undoped NCD deposited at 800 °C is comparable to single crystal diamond, indicating that NCD with excellent mechanical properties is achievable with our process for thin diamond films. Based on the film stress results, we propose the origins of tensile intrinsic stress in the diamond films. In NCD, the tensile intrinsic stress is attributed to larger grain size, while in ultra-NCD films the tensile intrinsic stress is due to grain boundaries and impurities. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001126632800001 |
Publication Date |
2023-11-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1359-6454 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.4 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
This work was financially supported by the Special Research Fund (BOF) via Methusalem NANO network, the Research Foundation – Flanders (FWO) via Project G0D4920N, and the CORNET project nr 263-EN “ULTRAHARD: Ultrahard optical diamond coatings” (2020–2021). |
Approved |
Most recent IF: 9.4; 2024 IF: 5.301 |
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Call Number |
EMAT @ emat @c:irua:202169 |
Serial |
8989 |
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Author |
Martins, A.; Coddington, J.; van der Snickt, G.; van Driel, B.; McGlinchey, C.; Dahlberg, D.; Janssens, K.; Dik, J. |
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Title |
Jackson Pollock's Number 1A, 1948 : a non-invasive study using macro-x-ray fluorescence mapping (MA-XRF) and multivariate curve resolution-alternating least squares (MCR-ALS) analysis |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Heritage science |
Abbreviated Journal |
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Volume |
4 |
Issue |
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Pages |
33 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Jackson Pollock's Number 1A, 1948 painting was investigated using in situ scanning macro-x-ray fluorescence mapping (MA-XRF) to help characterize the artist's materials and his creative process. A multivariate curve resolution-alternating least squares (MCR-ALS) approach was used to examine the hyperspectral data and obtain distribution maps and signature spectra for the paints he used. The composition of the paints was elucidated based on the chemical elements identified in the signature spectra and a tentative list of pigments, fillers and other additives is proposed for eleven different paints and for the canvas. The paint distribution maps were used to virtually reconstruct the artist process and document the sequence and manner in which Pollock applied the different paints, using deliberate and specific gestures. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000386395100001 |
Publication Date |
2016-09-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7445 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:138172 |
Serial |
8134 |
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Author |
Martinez-Villarreal, S.; Breitenstein, A.; Nimmegeers, P.; Perez Saura, P.; Hai, B.; Asomaning, J.; Eslami, A.A.; Billen, P.; Van Passel, S.; Bressler, D.C.; Debecker, D.P.; Remacle, C.; Richel, A. |
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Title |
Drop-in biofuels production from microalgae to hydrocarbons : microalgal cultivation and harvesting, conversion pathways, economics and prospects for aviation |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Biomass & Bioenergy |
Abbreviated Journal |
Biomass Bioenerg |
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Volume |
165 |
Issue |
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Pages |
106555-22 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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| |
Abstract |
In the last few years, governments all around the world have agreed upon migrating towards carbon-neutral economies as a strategy for restraining the effects of climate change. A major obstacle limiting this achievement is greenhouse gases emissions, for which the aviation sector is a key contributor because of its dependence on fossil fuels. As an alternative, biofuels with similar characteristics to current fossil-fuels and fully compatible with the existing petroleum infrastructure (i.e., drop-in biofuels) are being developed. In this regard, microalgae are a promising feedstock thanks to, among other aspects, their potential for lipid accumulation. This review outlines the development status, opportunities, and challenges of different technologies that are capable of or applicable to transform microalgae into aviation fuels. To this effect, a baseline of the existing jet fuels and the requirements for potential aviation biofuels is initially presented. Then, microalgae production and valorization techniques are discussed with an emphasis on the thermochemical pathways. Finally, an assessment of the present techno-economic feasibility of microalgae-derived aviation fuels is discussed, along with the authors’ point of view on the suitability of these techniques. Further developments are needed to reduce the costs of cultivation and harvesting of microalgae, and a biorefinery approach might improve the economics of the overall process. In addition, while each of the conversion routes described has its advantages and drawbacks, they converge upon the need of optimizing the deoxygenation techniques and the proportion of the suitable type of hydrocarbons that match fuel requirements. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000861095400001 |
Publication Date |
2022-08-30 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0961-9534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 6 |
|
| |
Call Number |
UA @ admin @ c:irua:189953 |
Serial |
7354 |
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| Permanent link to this record |
| |
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| |
|
Author |
Martínez-Dueñas, E.J.R.; de Jong van Coevorden, C.M.; Stukach, O.V.; Panokin, N.V.; Gielis, J.; Caratelli, D. |
|
| |
Title |
Electromagnetic modeling and design of a novel class of complementary split‐ring resonators |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
International journal of RF and microwave computer-aided engineering |
Abbreviated Journal |
|
|
| |
Volume |
29 |
Issue |
4 |
Pages |
e21582 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
This research study reports the assessment of complementary split ring resonators based on Gielis transformation as basic elements for the design of high‐performance microwave components in printed technology. From the electromagnetic simulation of said structures, suitable equivalent circuit models are extracted and analyzed. Physical prototypes are fabricated and tested for design validation. The obtained results confirm that the adoption of supershaped geometries enables the synthesis of very compact scalable microwave filters. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000460308500020 |
Publication Date |
2018-11-19 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1096-4290 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:155021 |
Serial |
7867 |
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| Permanent link to this record |
| |
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| |
|
Author |
Martinez, G.T.; van den Bos, K.H.W.; Alania, M.; Nellist, P.D.; Van Aert, S. |
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| |
Title |
Thickness dependence of scattering cross-sections in quantitative scanning transmission electron microscopy |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
187 |
Issue |
|
Pages |
84-92 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
In quantitative scanning transmission electron microscopy (STEM), scattering cross-sections have been shown to be very sensitive to the number of atoms in a column and its composition. They correspond to the integrated intensity over the atomic column and they outperform other measures. As compared to atomic column peak intensities, which saturate at a given thickness, scattering cross-sections increase monotonically. A study of the electron wave propagation is presented to explain the sensitivity of the scattering cross-sections. Based on the multislice algorithm, we analyse the wave propagation inside the crystal and its link to the scattered signal for the different probe positions contained in the scattering cross-section for detector collection in the low-, middle- and high-angle regimes. The influence to the signal from scattering of neighbouring columns is also discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000428131200011 |
Publication Date |
2018-01-31 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.843 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 01.02.2020
|
|
| |
Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings ( G.0374.13N , G.0369.15N , G.0368.15N and WO.010.16N ) and a PhD grant to K.H.W.v.d.B. The research leading to these results has received funding from the European Union 7th Framework Programme [ FP7 /2007-2013] under Grant agreement no. 312483 (ESTEEM2). The authors are grateful to A. Rosenauer for providing access to the StemSim software. |
Approved |
Most recent IF: 2.843 |
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| |
Call Number |
EMAT @ emat @c:irua:149384 |
Serial |
4809 |
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| Permanent link to this record |
| |
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| |
|
Author |
Martinez, G.T.; Rosenauer, A.; de Backer, A.; Verbeeck, J.; Van Aert, S. |
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| |
Title |
Quantitative composition determination at the atomic level using model-based high-angle annular dark field scanning transmission electron microscopy |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
137 |
Issue |
|
Pages |
12-19 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
High angle annular dark field scanning transmission electron microscopy (HAADF STEM) images provide sample information which is sensitive to the chemical composition. The image intensities indeed scale with the mean atomic number Z. To some extent, chemically different atomic column types can therefore be visually distinguished. However, in order to quantify the atomic column composition with high accuracy and precision, model-based methods are necessary. Therefore, an empirical incoherent parametric imaging model can be used of which the unknown parameters are determined using statistical parameter estimation theory (Van Aert et al., 2009, [1]). In this paper, it will be shown how this method can be combined with frozen lattice multislice simulations in order to evolve from a relative toward an absolute quantification of the composition of single atomic columns with mixed atom types. Furthermore, the validity of the model assumptions are explored and discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
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| |
Language |
|
Wos |
000331092200003 |
Publication Date |
2013-11-09 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.843 |
Times cited |
74 |
Open Access |
|
|
| |
Notes |
FWO; FP7; ERC Countatoms; ESTEEM2; esteem2_ta |
Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
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| |
Call Number |
UA @ lucian @ c:irua:111579UA @ admin @ c:irua:111579 |
Serial |
2749 |
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| Permanent link to this record |
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| |
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Author |
Martinez, G.T.; Jones, L.; de Backer, A.; Béché, A.; Verbeeck, J.; Van Aert, S.; Nellist, P.D. |
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| |
Title |
Quantitative STEM normalisation : the importance of the electron flux |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
159 |
Issue |
159 |
Pages |
46-58 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Annular dark-field (ADF) scanning transmission electron microscopy (STEM) has become widely used in quantitative studies based on the opportunity to directly compare experimental and simulated images. This comparison merely requires the experimental data to be normalised and expressed in units of fractional beam-current. However, inhomogeneities in the response of electron detectors can complicate this normalisation. The quantification procedure becomes both experiment and instrument specific, requiring new simulations for the particular response of each instrument's detector, and for every camera-length used. This not only impedes the comparison between different instruments and research groups, but can also be computationally very time consuming. Furthermore, not all image simulation methods allow for the inclusion of an inhomogeneous detector response. In this work, we propose an alternative method for normalising experimental data in order to compare these with simulations that consider a homogeneous detector response. To achieve this, we determine the electron flux distribution reaching the detector by means of a camera-length series or a so-called atomic column cross-section averaged convergent beam electron diffraction (XSACBED) pattern. The result is then used to determine the relative weighting of the detector response. Here we show that the results obtained by this new electron flux weighted (EFW) method are comparable to the currently used method, while considerably simplifying the needed simulation libraries. The proposed method also allows one to obtain a metric that describes the quality of the detector response in comparison with the ideal detector response. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000366220000006 |
Publication Date |
2015-08-01 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.843 |
Times cited |
27 |
Open Access |
|
|
| |
Notes |
246791 Countatoms; 278510 Vortex; 312483 Esteem2; Fwo G036815; G036915; G037413; G004413; esteem2ta ECASJO; |
Approved |
Most recent IF: 2.843; 2015 IF: 2.436 |
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| |
Call Number |
c:irua:127293 c:irua:127293UA @ admin @ c:irua:127293 |
Serial |
2762 |
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| Permanent link to this record |
| |
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| |
|
Author |
Martinez, G.T.; de Backer, A.; Rosenauer, A.; Verbeeck, J.; Van Aert, S. |
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| |
Title |
The effect of probe inaccuracies on the quantitative model-based analysis of high angle annular dark field scanning transmission electron microscopy images |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Micron |
Abbreviated Journal |
Micron |
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| |
Volume |
63 |
Issue |
|
Pages |
57-63 |
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| |
Keywords |
A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Quantitative structural and chemical information can be obtained from high angle annular dark field scanning transmission electron microscopy (HAADF STEM) images when using statistical parameter estimation theory. In this approach, we assume an empirical parameterized imaging model for which the total scattered intensities of the atomic columns are estimated. These intensities can be related to the material structure or composition. Since the experimental probe profile is assumed to be known in the description of the imaging model, we will explore how the uncertainties in the probe profile affect the estimation of the total scattered intensities. Using multislice image simulations, we analyze this effect for Cs corrected and non-Cs corrected microscopes as a function of inaccuracies in cylindrically symmetric aberrations, such as defocus and spherical aberration of third and fifth order, and non-cylindrically symmetric aberrations, such as 2-fold and 3-fold astigmatism and coma. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Oxford |
Editor |
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| |
Language |
|
Wos |
000338402500011 |
Publication Date |
2014-01-02 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0968-4328; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.98 |
Times cited |
25 |
Open Access |
|
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| |
Notes |
FWO (G.0393.11; G.0064.10; G.0374.13; G.0044.13); European Research Council under the 7th Framework Program (FP7); ERC GrantNo. 246791-COUNTATOMS and ERC Starting Grant No. 278510-VORTEX. A.R. thanks the DFG under contract number RO2057/8-1.The research leading to these results has received funding fromthe European Union 7th Framework Programme [FP7/2007-2013]under grant agreement no. 312483 (ESTEEM2).; esteem2ta ECASJO; |
Approved |
Most recent IF: 1.98; 2014 IF: 1.988 |
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| |
Call Number |
UA @ lucian @ c:irua:113857UA @ admin @ c:irua:113857 |
Serial |
831 |
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| Permanent link to this record |
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| |
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Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
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| |
Title |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
| |
Volume |
222 |
Issue |
|
Pages |
517-523 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
|
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| |
Address |
|
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
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| |
Language |
|
Wos |
A1994NN02600016 |
Publication Date |
2002-07-25 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.897 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:10255 |
Serial |
36 |
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| Permanent link to this record |
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| |
|
Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
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| |
Title |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
| |
Volume |
226 |
Issue |
5/6 |
Pages |
475-483 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
A1994PE00500008 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.897 |
Times cited |
46 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:10256 |
Serial |
37 |
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| Permanent link to this record |
| |
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| |
|
Author |
Martin, J.M.L.; Slanina, Z.; François, J.P.; Gijbels, R. |
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| |
Title |
The structure, energetics, and harmonic vibrations of B3N and BN3 |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Molecular physics |
Abbreviated Journal |
Mol Phys |
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| |
Volume |
82 |
Issue |
|
Pages |
155-164 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1994NN66200010 |
Publication Date |
2006-04-04 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0026-8976;1362-3028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.72 |
Times cited |
19 |
Open Access |
|
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| |
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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| |
Call Number |
UA @ lucian @ c:irua:10254 |
Serial |
3303 |
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| Permanent link to this record |
| |
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| |
|
Author |
Martin, J.M.L.; Francois; Gijbels, R. |
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| |
Title |
The anharmonic-force field of thioformaldehyde, h2cs, by ab-initio methods |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Journal of molecular spectroscopy |
Abbreviated Journal |
J Mol Spectrosc |
|
| |
Volume |
168 |
Issue |
2 |
Pages |
363-373 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
The quartic force field of thioformaldehyde has been calculated ab initio using large basis sets and augmented coupled cluster methods. Calculated fundamentals are in excellent agreement with experiment, as is the most important Coriolis coupling constant. Computed values for the anharmonicity, rovibrational coupling, and centrifugal distortion constants of the four isotopomers (H2CS)-S-32, (H2CS)-S-34, (HDCS)-S-32, and (D2CS)-S-32 have been reported. Predictions have been made for all vibrational transitions from the ground state to excited states with at most two quanta for these isotopomers, both using second-order perturbation theory corrected for Darling-Dennison resonance and using vibrational SCF-CI calculations. For (D2CS)-S-32, perturbation theory performs quite well; for the other isotopomers, performance is poorer for states involving excitation of the out-of-plane bend and, for the (H2CS)-S-32 and (H2CS)-S-34 isotopomers, also for the antisymmetric bend that is in severe Coriolis resonance with it. A possible explanation has been suggested. (C) 1994 Academic Press, Inc. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
A1994PU60800015 |
Publication Date |
2002-10-07 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-2852; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.482 |
Times cited |
18 |
Open Access |
|
|
| |
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
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| |
Call Number |
UA @ lucian @ c:irua:95414 |
Serial |
3570 |
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| Permanent link to this record |
| |
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| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J. |
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| |
Title |
Structure and infrared spectroscopy of the C11 molecule |
Type |
A1 Journal article |
| |
Year |
1991 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
| |
Volume |
187 |
Issue |
|
Pages |
367-386 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
|
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
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| |
Language |
|
Wos |
A1991GX46000005 |
Publication Date |
2002-07-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.897 |
Times cited |
42 |
Open Access |
|
|
| |
Notes |
|
Approved |
|
|
| |
Call Number |
UA @ lucian @ c:irua:718 |
Serial |
3281 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
Ab initio spectroscopy and thermochemistry of the BN molecule |
Type |
A1 Journal article |
| |
Year |
1991 |
Publication |
Zeitschrift für Physik : D : atoms, molecules and clusters |
Abbreviated Journal |
|
|
| |
Volume |
21 |
Issue |
|
Pages |
47-55 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
|
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
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Place of Publication |
Berlin |
Editor |
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| |
Language |
|
Wos |
A1991GA17200008 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0178-7683 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
17 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:714 |
Serial |
34 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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| |
Title |
Ab initio study of the structure, infrared spectra and heat of formation of C4 |
Type |
A1 Journal article |
| |
Year |
1991 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
| |
Volume |
94 |
Issue |
|
Pages |
3753-3761 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
A1991FA77800052 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.952 |
Times cited |
62 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:715 |
Serial |
38 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
Accurate ab initio quartic force fields and thermochemistry of FNO and CINO |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
The journal of physical chemistry |
Abbreviated Journal |
|
|
| |
Volume |
98 |
Issue |
44 |
Pages |
11394-11400 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| |
Language |
|
Wos |
A1994PP89400022 |
Publication Date |
2005-03-15 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-3654;1541-5740; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
21 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:12310 |
Serial |
44 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
Accurate ab initio quartic force fields for the sulfur compounds H2S, CS2, OCS and CS |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Journal of molecular spectroscopy |
Abbreviated Journal |
J Mol Spectrosc |
|
| |
Volume |
169 |
Issue |
|
Pages |
445-457 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
|
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| |
Address |
|
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
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| |
Language |
|
Wos |
A1995QD98400014 |
Publication Date |
2002-09-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-2852; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.482 |
Times cited |
37 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:12277 |
Serial |
45 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
The anharmonic force field of thioformaldehyde, H2CS |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Journal of molecular spectroscopy |
Abbreviated Journal |
J Mol Spectrosc |
|
| |
Volume |
168 |
Issue |
|
Pages |
363-373 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
A1994PU60800015 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0022-2852 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.482 |
Times cited |
18 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:10259 |
Serial |
119 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
A critical comparison of MINDO/3, MNDO, AM1 and PM3 for a model problem: carbon clusters C2-C10. An ad hoc reparametrization of MNDO well suited for the accurate prediction of their spectroscopic constants |
Type |
A1 Journal article |
| |
Year |
1991 |
Publication |
Journal of computational chemistry |
Abbreviated Journal |
J Comput Chem |
|
| |
Volume |
12 |
Issue |
|
Pages |
52-70 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
Wiley |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
A1991EQ52200006 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0192-8651; 1096-987x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.589 |
Times cited |
76 |
Open Access |
|
|
| |
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 # |
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| |
Call Number |
UA @ lucian @ c:irua:712 |
Serial |
541 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers |
Type |
A1 Journal article |
| |
Year |
1992 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
| |
Volume |
96 |
Issue |
10 |
Pages |
7633-7645 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
A1992HU55700047 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.952 |
Times cited |
59 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:4195 |
Serial |
1206 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
| |
Title |
First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers |
Type |
A1 Journal article |
| |
Year |
1992 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
| |
Volume |
97 |
Issue |
5 |
Pages |
3530-3536 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
A1992JL37200072 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.952 |
Times cited |
22 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:4197 |
Serial |
1207 |
|
| Permanent link to this record |
