| Records |
| Author |
Leys, F.E.; March, N.H.; Lamoen, D. |
| Title |
Thermodynamic consistency and integral equations for the liquid structure |
Type |
A1 Journal article |
| Year |
2002 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
| Volume |
117 |
Issue |
|
Pages |
10726 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000179495000031 |
Publication Date |
2002-12-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
2.965 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.965; 2002 IF: 2.998 |
Call Number  |
UA @ lucian @ c:irua:41406 |
Serial |
3634 |
| Permanent link to this record |
| |
|
| |
| Author |
Alonso, J.A.; López, M.J.; March, N.H.; Lamoen, D. |
| Title |
Some properties of a model liquid of C60 buckyballs |
Type |
A1 Journal article |
| Year |
2002 |
Publication |
Physics And Chemistry Of Liquids |
Abbreviated Journal |
Phys Chem Liq |
| Volume |
40 |
Issue |
|
Pages |
457 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000178012900008 |
Publication Date |
2004-04-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-9104;1029-0451; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.145 |
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.145; 2002 IF: 0.533 |
| Call Number |
UA @ lucian @ c:irua:41407 |
Serial |
3055 |
| Permanent link to this record |
| |
|
| |
| Author |
Leys, F.E.; March, N.H.; Lamoen, D.; van Doren, V.E. |
| Title |
Equations of state of tantalum and plutonium in a spherical cell approximation and at extremely high pressures |
Type |
A1 Journal article |
| Year |
2002 |
Publication |
|
Abbreviated Journal |
|
| Volume |
22 |
Issue |
|
Pages |
217 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:41408 |
Serial |
1077 |
| Permanent link to this record |
| |
|
| |
| Author |
Titantah, J.T.; Jorissen, K.; Lamoen, D. |
| Title |
Density functional theory calculations of energy-loss carbon near-edge spectra of small diameter armchair and zigzag nanotubes: core-hole, curvature, and momentum-transfer orientation effects |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
69 |
Issue |
|
Pages |
125406,1-11 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000221259000113 |
Publication Date |
2004-03-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
| Call Number |
UA @ lucian @ c:irua:45626 |
Serial |
637 |
| Permanent link to this record |
| |
|
| |
| Author |
Leys, F.E.; March, N.H.; Angilella, G.G.N.; Lamoen, D. |
| Title |
Self consistent nonlocal linear-response theory of a relativistic electron gas |
Type |
A1 Journal article |
| Year |
2003 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
67 |
Issue |
|
Pages |
113105 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000182035100005 |
Publication Date |
2003-04-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
3.836 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
| Call Number |
UA @ lucian @ c:irua:45627 |
Serial |
2973 |
| Permanent link to this record |
| |
|
| |
| Author |
Leys, F.E.; March, N.H.; Lamoen, D. |
| Title |
High pressure limiting forms of the zero-temperature equations of state of Ta and Pu from relativistic Thomas-Fermi theory |
Type |
A1 Journal article |
| Year |
2003 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
67 |
Issue |
|
Pages |
064109 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000181501100021 |
Publication Date |
2003-03-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
| Call Number |
UA @ lucian @ c:irua:45628 |
Serial |
1439 |
| Permanent link to this record |
| |
|
| |
| Author |
Potapov, P.L.; Jorissen, K.; Schryvers, D.; Lamoen, D. |
| Title |
Effect of charge transfer on EELS integrated cross sections in Mn and Ti oxides |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
70 |
Issue |
|
Pages |
045106,1-10 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000223053300016 |
Publication Date |
2004-07-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
| Call Number |
UA @ lucian @ c:irua:47333 |
Serial |
803 |
| Permanent link to this record |
| |
|
| |
| Author |
Titantah, J.T.; Lamoen, D. |
| Title |
Technique for the sp2/sp3 characterization of carbon materials: ab initio calculation of near-edge structure in electron energy-loss spectra |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
70 |
Issue |
|
Pages |
033101 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000223716600040 |
Publication Date |
2004-08-31 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
| Call Number |
UA @ lucian @ c:irua:47374 |
Serial |
3471 |
| Permanent link to this record |
| |
|
| |
| Author |
Leys, F.E.; March, N.H.; Lamoen, D. |
| Title |
Relativistic virial relations for both homogeneous and spatially varying electron liquids |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Physics And Chemistry Of Liquids |
Abbreviated Journal |
Phys Chem Liq |
| Volume |
42 |
Issue |
|
Pages |
423-431 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000222750800010 |
Publication Date |
2004-07-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-9104;1029-0451; |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
1.145 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.145; 2004 IF: 0.478 |
| Call Number |
UA @ lucian @ c:irua:47379 |
Serial |
2862 |
| Permanent link to this record |
| |
|
| |
| Author |
Verberck, B.; Popov, V.N.; Nikolaev, A.V.; Lamoen, D. |
| Title |
Valence electronic charge density of distorted C60-monomers in polymerized KC60 and RbC60 |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
| Volume |
121 |
Issue |
|
Pages |
321 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000222112100035 |
Publication Date |
2004-06-16 |
| 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 |
2.965 |
Times cited |
7 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.965; 2004 IF: 3.105 |
| Call Number |
UA @ lucian @ c:irua:47380 |
Serial |
3830 |
| Permanent link to this record |
| |
|
| |
| Author |
Titantah, J.T.; Lamoen, D. |
| Title |
Determination of the electron effective band mass in amorphous carbon from density-functional theory calculations |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
70 |
Issue |
|
Pages |
033101,1-4 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000222996700001 |
Publication Date |
2004-07-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
| Call Number |
UA @ lucian @ c:irua:49655 |
Serial |
676 |
| Permanent link to this record |
| |
|
| |
| Author |
Titantah, J.T.; Lamoen, D. |
| Title |
A technique for the sp2/sp3 characterization of carbon materials |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
Phys Status Solidi A |
| Volume |
201 |
Issue |
|
Pages |
2492 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000224152700019 |
Publication Date |
2004-09-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-8965;1521-396X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:49656 |
Serial |
3472 |
| Permanent link to this record |
| |
|
| |
| Author |
Schowalter, M.; Lamoen, D.; Kruse, P.; Gerthsen, D.; Rosenauer, A. |
| Title |
First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
85 |
Issue |
21 |
Pages |
4938-4940 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000225300600037 |
Publication Date |
2004-11-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
16 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2004 IF: 4.308 |
| Call Number |
UA @ lucian @ c:irua:49657 |
Serial |
1203 |
| Permanent link to this record |
| |
|
| |
| Author |
Howard, I.A.; Zutterman, F.; Deroover, G.; Lamoen, D.; van Alsenoy, C. |
| Title |
Approaches to calculation of exciton interaction energies for a molecular dimer |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Journal Of Physical Chemistry B |
Abbreviated Journal |
J Phys Chem B |
| Volume |
108 |
Issue |
|
Pages |
19155-19162 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000225695100015 |
Publication Date |
2004-12-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1520-6106;1520-5207; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.177 |
Times cited |
35 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.177; 2004 IF: 3.834 |
| Call Number |
UA @ lucian @ c:irua:50259 |
Serial |
147 |
| Permanent link to this record |
| |
|
| |
| Author |
Titantah, J.T.; Lamoen, D. |
| Title |
sp3/sp2 characterization of carbon materials from first-principles calculations: X-ray photoelectron versus high energy electron energy-loss spectroscopy techniques |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
43 |
Issue |
6 |
Pages |
1311-1316 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000228676400022 |
Publication Date |
2005-02-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
70 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337; 2005 IF: 3.419 |
| Call Number |
UA @ lucian @ c:irua:51762 |
Serial |
3558 |
| Permanent link to this record |
| |
|
| |
| Author |
Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. |
| Title |
Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
86 |
Issue |
|
Pages |
112102 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000228050700042 |
Publication Date |
2005-03-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2005 IF: 4.127 |
| Call Number |
UA @ lucian @ c:irua:51764 |
Serial |
31 |
| Permanent link to this record |
| |
|
| |
| Author |
Müller, E.; Kruse, P.; Gerthsen, D.; Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kling, R.; Waag, A. |
| Title |
Measurement of the mean inner potential of ZnO nanorods by transmission electron holography |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
86 |
Issue |
15 |
Pages |
|
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000228901600121 |
Publication Date |
2005-04-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
5 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2005 IF: 4.127 |
| Call Number |
UA @ lucian @ c:irua:54917 |
Serial |
1963 |
| Permanent link to this record |
| |
|
| |
| Author |
Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. |
| Title |
First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
72 |
Issue |
8 |
Pages |
1-10 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
This work provides values of electron scattering 002 structure factors for InxGa1-xAs as a function of the In concentration x=0 to 1. These results allow accurate compositional analysis of pseudomorphically grown InxGa1-xAs/GaAs layers by transmission electron microscopy methods relying on the chemical sensitivity of the (002) beam. The calculations go beyond the limits of the isolated atom approximation, because they take into account charge redistribution effects between atomic sites in the crystal, strain, and static atomic displacements. The computations were performed by the full potential linearized augmented plane-wave method using a generalized gradient approximation for the exchange and correlation part of the potential. The calculations of strained InxGa1-xAs correspond to the strain state in specimens with large, small, and intermediate thickness in the electron beam direction. Additionally, the effect of static atomic displacements is taken into account. All results are listed in a parameterized form. The calculated 002 structure factor vanishes at an In concentration of 16.4%. This value is in a good agreement with previously reported experimental measurements. Hence, our results are a significant improvement with respect to the isolated atom approximation which is conventionally applied in transmission electron microscopy simulations, and which predicts a value of 22.5%. |
| 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 |
|
| Language |
|
Wos |
000231564600106 |
Publication Date |
2005-08-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
42 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
| Call Number |
UA @ lucian @ c:irua:54918 |
Serial |
1201 |
| Permanent link to this record |
| |
|
| |
| Author |
Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C. |
| Title |
Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
International Journal Of Quantum Chemistry |
Abbreviated Journal |
Int J Quantum Chem |
| Volume |
105 |
Issue |
3 |
Pages |
292-299 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| 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 |
|
| Language |
|
Wos |
000232232300009 |
Publication Date |
2005-07-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0020-7608;1097-461X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.92 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.92; 2005 IF: 1.192 |
| Call Number |
UA @ lucian @ c:irua:54919 |
Serial |
30 |
| Permanent link to this record |
| |
|
| |
| Author |
Titantah, J.T.; Lamoen, D. |
| Title |
Energy-loss near-edge structure changes with bond length in carbon systems |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
72 |
Issue |
19 |
Pages |
193104,1-4 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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 |
|
| Language |
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Wos |
000233603700004 |
Publication Date |
2005-11-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
| Call Number |
UA @ lucian @ c:irua:56050 |
Serial |
1041 |
| Permanent link to this record |
| |
|
| |
| Author |
Kruse, P.; Schowalter, M.; Lamoen, D.; Rosenauer, A.; Gerthsen, D. |
| Title |
Determination of the mean inner potential in III-V semiconductors, Si and Ge by density functional theory and electron holography |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
106 |
Issue |
2 |
Pages |
105-113 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| 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 |
|
Editor |
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| Language |
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Wos |
000234535900005 |
Publication Date |
2005-07-29 |
| 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 |
50 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.843; 2006 IF: 1.706 |
| Call Number |
UA @ lucian @ c:irua:56143 |
Serial |
678 |
| Permanent link to this record |
| |
|
| |
| Author |
Lamoen, D.; Michel, K.H. |
| Title |
Crystal field and molecular structure of solid C60 |
Type |
A1 Journal article |
| Year |
1993 |
Publication |
Zeitschrift für Physik : B : condensed matter |
Abbreviated Journal |
|
| Volume |
92 |
Issue |
|
Pages |
323-330 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The crystal field in the orientationally disordered phase of C90-fullerite is derived from an intermolecular potential model, which takes into account the geometric difference between double bonds and single bonds. The molecules are modelled as rigid bodies, atoms and single bonds are treated as single interaction centers, while double bonds are described by a distribution of interaction centers along the bond. The crystal field is expanded in terms of cubic rotator functions. The calculated expansion coefficients are compared with empirical values derived from diffraction data. The angular dependence of the crystal field, resulting from an anticlockwise rotation of the molecule around the [111] axis, exhibits an absolute and a secondary minimum at angles of 98-degrees and 38-degrees respectively. The self interaction of the molecule in a deformable lattice is investigated. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
A1993MC88000005 |
Publication Date |
2005-03-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0722-3277;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
25 |
Open Access |
|
| Notes |
|
Approved |
PHYSICS, CONDENSED MATTER 11/54 Q1 # |
| Call Number |
UA @ lucian @ c:irua:5777 |
Serial |
553 |
| Permanent link to this record |
| |
|
| |
| Author |
Lamoen, D.; Michel, K.H. |
| Title |
Microscopic theory of thermoelastic phenomena and pressure dependence in solid C60 |
Type |
A1 Journal article |
| Year |
1993 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
48 |
Issue |
2 |
Pages |
807-813 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A microscopic theory for the coupling of molecular orientations with acoustic lattice displacements is proposed. The relevant interaction is quadratic in the orientational-order-parameter variables and linear in longitudinal strains. The coupling is evaluated for a complex molecular structure. The intermolecular potential is obtained from interaction centers placed at nuclei and at the centers of interatomic bonds. The free energy is derived and the experimental consequences of the theory are studied. The Clausius-Clapeyron equation for orientational melting is obtained. The theory explains the decrease of the lattice constant at the first-order phase transition and the increase of the transition temperature with applied pressure. |
| 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 |
A1993LM88500014 |
Publication Date |
2002-07-27 |
| 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 |
|
Edition |
|
| ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.736 |
Times cited |
32 |
Open Access |
|
| Notes |
|
Approved |
PHYSICS, CONDENSED MATTER 16/67 Q1 # |
| Call Number |
UA @ lucian @ c:irua:5779 |
Serial |
2035 |
| Permanent link to this record |
| |
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| |
| Author |
Titantah, J.T.; Lamoen, D.; Neyts, E.; Bogaerts, A. |
| Title |
The effect of hydrogen on the electronic and bonding properties of amorphous carbon |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
18 |
Issue |
48 |
Pages |
10803-10815 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| 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 |
000242650600008 |
Publication Date |
2006-11-18 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
13 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.649; 2006 IF: 2.038 |
| Call Number |
UA @ lucian @ c:irua:60468 |
Serial |
816 |
| Permanent link to this record |
| |
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| |
| Author |
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. |
| Title |
Ab initio computation of the mean inner Coulomb potential of wurtzite-type semiconductors and gold |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
88 |
Issue |
23 |
Pages |
Artn 232108 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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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 |
000238914500031 |
Publication Date |
2006-06-19 |
| 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 |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2006 IF: 3.977 |
| Call Number |
UA @ lucian @ c:irua:60581 |
Serial |
33 |
| Permanent link to this record |
| |
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| |
| Author |
Titantah, J.T.; Lamoen, D. |
| Title |
First-principles characterization of amorphous carbon nitride systems: structural and electronic properties |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
Phys Status Solidi A |
| Volume |
203 |
Issue |
12 |
Pages |
3191-3197 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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 |
Berlin |
Editor |
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| Language |
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Wos |
000240967400032 |
Publication Date |
2006-09-11 |
| 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 |
1862-6300;1862-6319; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.775 |
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.775; 2006 IF: NA |
| Call Number |
UA @ lucian @ c:irua:61003 |
Serial |
1205 |
| Permanent link to this record |
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| |
| Author |
Tirry, W.; Schryvers, D.; Jorissen, K.; Lamoen, D. |
| Title |
Quantitative determination of the crystal structure of Ni4Ti3 precipitates |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
| Volume |
438 |
Issue |
|
Pages |
517-520 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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 |
Lausanne |
Editor |
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| Language |
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Wos |
000242900900112 |
Publication Date |
2006-07-12 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-5093; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.094 |
Times cited |
7 |
Open Access |
|
| Notes |
Mrtn-Ct-2004-505226 |
Approved |
Most recent IF: 3.094; 2006 IF: 1.490 |
| Call Number |
UA @ lucian @ c:irua:61577 |
Serial |
2752 |
| Permanent link to this record |
| |
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| |
| Author |
Tirry, W.; Schryvers, D.; Jorissen, K.; Lamoen, D. |
| Title |
Electron-diffraction structure refinement of Ni4Ti3 precipitates in Ni52Ti48 |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Acta crystallographica: section B: structural science |
Abbreviated Journal |
Acta Crystallogr B |
| Volume |
62 |
Issue |
6 |
Pages |
966-971 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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 |
Copenhagen |
Editor |
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| Language |
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Wos |
000241992300003 |
Publication Date |
2006-11-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0108-7681; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
30 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:61578 |
Serial |
923 |
| Permanent link to this record |
| |
|
| |
| Author |
Soldatov, A.V.; Lamoen, D.; Konstantinović, M.J.; van den Berghe, S.; Scheinost, A.C.; Verwerft, M. |
| Title |
Local structure and oxidation state of uranium in some ternary oxides: X-ray absorption analysis |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
Journal Of Solid State Chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
180 |
Issue |
1 |
Pages |
54-61 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000243951900008 |
Publication Date |
2006-09-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
60 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.299; 2007 IF: 2.149 |
| Call Number |
UA @ lucian @ c:irua:61579 |
Serial |
1831 |
| Permanent link to this record |
| |
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| |
| Author |
Titantah, J.T.; Lamoen, D. |
| Title |
Carbon and nitrogen 1s energy levels in amorphous carbon nitride systems: XPS interpretation using first-principles |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
Diamond And Related Materials |
Abbreviated Journal |
Diam Relat Mater |
| Volume |
16 |
Issue |
3 |
Pages |
581-588 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| 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 |
|
| Language |
|
Wos |
000244827100028 |
Publication Date |
2007-01-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0925-9635; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.561 |
Times cited |
77 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.561; 2007 IF: 1.788 |
| Call Number |
UA @ lucian @ c:irua:63842 |
Serial |
277 |
| Permanent link to this record |
