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Records |
Links |
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Author |
Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C. |
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| |
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 |
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| |
Volume |
105 |
Issue |
3 |
Pages |
292-299 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000232232300009 |
Publication Date |
2005-07-18 |
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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 |
0020-7608;1097-461X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.92 |
Times cited |
8 |
Open Access |
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| |
Notes  |
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Approved |
Most recent IF: 2.92; 2005 IF: 1.192 |
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| |
Call Number |
UA @ lucian @ c:irua:54919 |
Serial |
30 |
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| Permanent link to this record |
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Author |
Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. |
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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 |
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| |
Volume |
86 |
Issue |
|
Pages |
112102 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000228050700042 |
Publication Date |
2005-03-04 |
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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 |
15 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.411; 2005 IF: 4.127 |
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| |
Call Number |
UA @ lucian @ c:irua:51764 |
Serial |
31 |
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| Permanent link to this record |
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Author |
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. |
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Title |
Ab initio computation of the mean inner Coulomb potential of technological important semiconductors |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
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Abbreviated Journal |
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| |
Volume |
1007 |
Issue |
|
Pages |
233-236 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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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 |
Berlin |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
0930-8989 |
ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
|
Times cited |
|
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:72915 |
Serial |
32 |
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| Permanent link to this record |
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Author |
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. |
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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 |
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| |
Volume |
88 |
Issue |
23 |
Pages |
Artn 232108 |
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| |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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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 |
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 |
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Series Editor |
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Series Title |
|
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 3.411; 2006 IF: 3.977 |
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| |
Call Number |
UA @ lucian @ c:irua:60581 |
Serial |
33 |
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| Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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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 |
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Volume |
21 |
Issue |
|
Pages |
47-55 |
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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 |
Berlin |
Editor |
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Language |
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Wos |
A1991GA17200008 |
Publication Date |
0000-00-00 |
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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 |
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 |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ lucian @ c:irua:714 |
Serial |
34 |
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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 BN2 molecule |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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| |
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 |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1994NN02600016 |
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 |
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Series Issue |
|
Edition |
|
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| |
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.897 |
Times cited |
14 |
Open Access |
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| |
Notes |
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Approved |
no |
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| |
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) |
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| |
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 |
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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 |
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| |
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.; 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 |
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| |
Volume |
94 |
Issue |
|
Pages |
3753-3761 |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1991FA77800052 |
Publication Date |
0000-00-00 |
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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 |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.952 |
Times cited |
62 |
Open Access |
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Notes |
|
Approved |
no |
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| |
Call Number |
UA @ lucian @ c:irua:715 |
Serial |
38 |
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| Permanent link to this record |
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Author |
Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
An ab initio study of the C3+ cation using multireference methods |
Type |
A1 Journal article |
| |
Year |
1991 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
| |
Volume |
95 |
Issue |
|
Pages |
6530-6534 |
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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 |
New York, N.Y. |
Editor |
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Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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| |
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 |
|
| |
Impact Factor |
2.952 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:720 |
Serial |
39 |
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| Permanent link to this record |
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Author |
Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
| |
Volume |
252 |
Issue |
5/6 |
Pages |
398-404 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants. |
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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 |
A1996UJ45000017 |
Publication Date |
2003-05-12 |
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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 |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.897 |
Times cited |
28 |
Open Access |
|
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| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:12328 |
Serial |
40 |
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| Permanent link to this record |
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Author |
Szafran, B.; Bednarek, S.; Adamowski, J.; Tavernier, M.B.; Anisimovas, E.; Peeters, F.M. |
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| |
Title |
Accuracy of the Hartree-Fock method for Wigner molecules at high magnetic fields |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
European physical journal : D : atomic, molecular and optical physics |
Abbreviated Journal |
Eur Phys J D |
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| |
Volume |
28 |
Issue |
3 |
Pages |
373-380 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Few-electron systems confined in two-dimensional parabolic quantum dots at high magnetic fields are studied by the Hartree-Fock (HF) and exact diagoiialization methods. A generalized multicenter Gaussian basis is proposed in the HF method. A comparison of the HF and exact, results allows as to discuss the relevance of the symmetry of the charge density distribution for the accuracy of the HF method. It is shown that the energy estimates obtained with the broken-symmetry HF wave functions become exact in the infinite magnetic-field limit. In this limit the charge density of the broken-symmetry solution call be identified with the classical charge distribution. |
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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 |
|
Wos |
000220378400008 |
Publication Date |
2004-03-19 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1434-6060;1434-6079; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.288 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.288; 2004 IF: 1.692 |
|
| |
Call Number |
UA @ lucian @ c:irua:103246 |
Serial |
43 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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| |
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 |
|
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 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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| |
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 |
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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 |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
A1995QD98400014 |
Publication Date |
2002-09-18 |
|
| |
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 |
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| Permanent link to this record |
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Author |
de Gryse, O.; Clauws, P.; Rossou, L.; van Landuyt, J.; Vanhellemont, J. |
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| |
Title |
Accurate infrared spectroscopy determination of interstitial and precipitated oxygen in highly doped Czochralski-grown silicon |
Type |
A1 Journal article |
| |
Year |
1999 |
Publication |
The review of scientific instruments |
Abbreviated Journal |
Rev Sci Instrum |
|
| |
Volume |
70 |
Issue |
9 |
Pages |
3661-3663 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
A method has been developed to determine the interstitial and precipitated oxygen concentration in highly doped n- and p-type silicon. 10-30-mu m-thin silicon samples in a mechanical stress-free state and without alteration of the thermal history are prepared and measured with Fourier transform infrared spectroscopy at 5.5-6 K. The measured oxygen contents in the as-grown Si samples agree well with those obtained with gas fusion analysis. In the highly boron-doped samples, the interstitial oxygen can be determined down to 10(17) cm(-3). (C) 1999 American Institute of Physics. [S0034-6748(99)04909-6]. |
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| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000082289200026 |
Publication Date |
2002-07-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0034-6748; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.515 |
Times cited |
5 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.515; 1999 IF: 1.293 |
|
| |
Call Number |
UA @ lucian @ c:irua:103487 |
Serial |
48 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Geuens, P.; Lebedev, O.I.; van Dyck, D.; Van Tendeloo, G. |
|
| |
Title |
Accurate measurements of atomic displacements in La0.9Sr0.1MnO3 thin films grown on a SrTiO3 substrate |
Type |
H3 Book chapter |
| |
Year |
2000 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
1133-1134 |
|
| |
Keywords |
H3 Book chapter; Electron microscopy for materials research (EMAT); Vision lab |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
s.l. |
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 |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:54730 |
Serial |
49 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Lobato, I. |
|
| |
Title |
Accurate modeling of high angle electron scattering |
Type |
Doctoral thesis |
| |
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Antwerpen |
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 |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:120593 |
Serial |
50 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Burgin, J.; Langot, P.; Arbouet, A.; Margueritat, J.; Gonzalo, J.; Afonso, C.N.; Vallee, F.; Mlayah, A.; Rossell, M.D.; Van Tendeloo, G. |
|
| |
Title |
Acoustic vibration modes and electron-lattice coupling in self-assembled silver nanocolumns |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
|
| |
Volume |
8 |
Issue |
5 |
Pages |
1296-1302 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Washington |
Editor |
|
|
| |
Language |
|
Wos |
000255906400006 |
Publication Date |
2008-04-01 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
12.712 |
Times cited |
30 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 12.712; 2008 IF: 10.371 |
|
| |
Call Number |
UA @ lucian @ c:irua:69135 |
Serial |
53 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Farias, G.A.; da Costa, W.B.; Peeters, F.M. |
|
| |
Title |
Acoustical polarons and bipolarons in two dimensions |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
54 |
Issue |
|
Pages |
12835-12840 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
A1996VT68200039 |
Publication Date |
2002-07-27 |
|
| |
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 |
3.736 |
Times cited |
30 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:15790 |
Serial |
54 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Amin-Ahmadi, B. |
|
| |
Title |
Adanced TEM investigation of the elementary plsticity mechanisms in palladium thin films at the nano scale |
Type |
Doctoral thesis |
| |
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
Antwerpen |
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 |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:125236 |
Serial |
56 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Dubourdieu, C.; Rauwel, E.; Roussel, H.; Ducroquet, F.; Hollaender, B.; Rossell, M.; Van Tendeloo, G.; Lhostis, S.; Rushworth, S. |
|
| |
Title |
Addition of yttrium into HfO2 films: microstructure and electrical properties |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
|
| |
Volume |
27 |
Issue |
3 |
Pages |
503-514 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The cubic phase of HfO2 was stabilized by addition of yttrium in thin films grown on Si/SiO2 by metal-organic chemical vapor deposition. The cubic phase was obtained for contents of 6.5 at. % Y or higher at a temperature as low as 470 °C. The complete compositional range (from 1.5 to 99.5 at. % Y) was investigated. The crystalline structure of HfO2 was determined from x-ray diffraction, electron diffraction, and attenuated total-reflection infrared spectroscopy. For cubic films, the continuous increase in the lattice parameter indicates the formation of a solid-solution HfO2Y2O3. As shown by x-ray photoelectron spectroscopy, yttrium silicate is formed at the interface with silicon; the interfacial layer thickness increases with increasing yttrium content and increasing film thickness. The dependence of the intrinsic relative permittivity r as a function of Y content was determined. It exhibits a maximum of ~30 for ~8.8 at. % Y. The cubic phase is stable upon postdeposition high-temperature annealing at 900 °C under NH3. |
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| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000265739100016 |
Publication Date |
2009-05-02 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0734-2101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.374 |
Times cited |
29 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.374; 2009 IF: 1.297 |
|
| |
Call Number |
UA @ lucian @ c:irua:77054 |
Serial |
58 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Verhulst, S.L.; de Backer, J.; Van Gaal, L.; de Backer, W.; Desager, K. |
|
| |
Title |
Adenotonsillectomy as first-line treatment for sleep-disordered breathing in obese children |
Type |
L1 Letter to the editor |
| |
Year |
2008 |
Publication |
American journal of respiratory and critical care medicine |
Abbreviated Journal |
Am J Resp Crit Care |
|
| |
Volume |
177 |
Issue |
12 |
Pages |
1399 |
|
| |
Keywords |
L1 Letter to the editor; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
New York |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1073-449x; 1535-4970 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
13.204 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 13.204; 2008 IF: 9.792 |
|
| |
Call Number |
UA @ lucian @ c:irua:68864 |
Serial |
59 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Huygh, S.; Neyts, E.C. |
|
| |
Title |
Adsorption of C and CHx radicals on anatase (001) and the influence of oxygen vacancies |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
| |
Volume |
119 |
Issue |
119 |
Pages |
4908-4921 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
The adsorption of C and CHx radicals on anatase (001) was studied using DFT within the generalized gradient approximation using the Perde-Burke-Ernzerhof (PBE) functional. We have studied the influence of oxygen vacancies in and at the surface on the adsorption properties of the radicals. For the oxygen vacancies in anatase (001), the most stable vacancy is located at the surface. For this vacancy, the maximal adsorption strength of C and CH decreases compared to the adsorption on the stoichiometric surface, but it increases for CH2 and CH3. If an oxygen vacancy is present in the first subsurface layer, the maximal adsorption strength increases for C, CH, CH2, and CH3. When the vacancy is present in the next subsurface layer, we find that only the CH3 adsorption is enhanced, while the maximal adsorption energies for the other radical species decrease. Not only does the precise location of the oxygen vacancy determine the maximal adsorption interaction, it also influences the adsorption strengths of the radicals at different surface configurations. This determines the probability of finding a certain adsorption configuration at the surface, which in turn influences the possible surface reactions. We find that C preferentially adsorbs far away from the oxygen vacancy, while CH2 and CH3 adsorb preferentially at the oxygen vacancy site. A fraction of CH partially adsorbs at the oxygen vacancy, and another fraction adsorbs further away from the vacancy. |
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| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
| |
Language |
|
Wos |
000350840700052 |
Publication Date |
2015-02-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.536 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
|
| |
Call Number |
c:irua:124909 |
Serial |
63 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Lamoen, D.; Persson, B.N.J. |
|
| |
Title |
Adsorption of potassium and oxygen on graphite: a theoretical study |
Type |
A1 Journal article |
| |
Year |
1998 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
|
| |
Volume |
108 |
Issue |
|
Pages |
3332-3341 |
|
| |
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 |
000074379600032 |
Publication Date |
2002-07-26 |
|
| |
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 |
91 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.965; 1998 IF: 3.147 |
|
| |
Call Number |
UA @ lucian @ c:irua:19420 |
Serial |
64 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Adsorption of small molecules on graphene |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
|
| |
Volume |
40 |
Issue |
4/5 |
Pages |
860-862 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Luton |
Editor |
|
|
| |
Language |
|
Wos |
000265870200058 |
Publication Date |
2008-12-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.163 |
Times cited |
116 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.163; 2009 IF: 0.778 |
|
| |
Call Number |
UA @ lucian @ c:irua:77030 |
Serial |
65 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Van Tendeloo, G.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V. |
|
| |
Title |
Advanced electron microscopy and its possibilities to solve complex structures: application to transition metal oxides |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
|
| |
Volume |
19 |
Issue |
18 |
Pages |
2660-2670 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Design and optimization of materials properties can only be performed through a thorough knowledge of the structure of the compound. In this feature article we illustrate the possibilities of advanced electron microscopy in materials science and solid state chemistry. The different techniques are briefly discussed and several examples are given where the structures of complex oxides, often with a modulated structure, have been solved using electron microscopy. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
| |
Language |
|
Wos |
000265740600002 |
Publication Date |
2009-02-04 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
9 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:77065 |
Serial |
68 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Goris, B. |
|
| |
Title |
Advanced electron tomography : 3 dimensional structural characterisation of nanomaterials down to the atomic scale |
Type |
Doctoral thesis |
| |
Year |
2014 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Antwerpen |
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 |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:119017 |
Serial |
71 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Schryvers, D.; Tirry, W.; Cao, S. |
|
| |
Title |
Advanced TEM and SEM methods applied to 3D nano- and microstructural investigations of Ni4Ti3 precipitates in Ni-Ti (SMA) |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Diffusion and defect data : solid state data : part B : solid state phenomena |
Abbreviated Journal |
|
|
| |
Volume |
172/174 |
Issue |
|
Pages |
229-235 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Two different kinds of experimental approaches yielding three-dimensional structural information on metastable semi-coherent precipitates are demonstrated. By combining high-resolution images from two independent viewing directions a full description of the strain field surrounding a nano-sized Ni4Ti3 precipitate in Ni-Ti can be obtained. The principal axes and strains correlate well with the transformation strain of the observed R-phase transformation close to the precipitate. Using a slice-and-view procedure in a FIB/SEM dual-beam instrument, a three-dimensional voxel dataset is produced from which morphological and distributional information on the same precipitates can be obtained yielding new insight into the particular transformation paths of these alloys, relevant for their functional behaviour. |
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| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Vaduz |
Editor |
|
|
| |
Language |
|
Wos |
000303359700036 |
Publication Date |
2011-07-04 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1662-9779; |
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:90153 |
Serial |
73 |
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Author |
Schryvers, D.; Tirry, W.; Yang, Z. |
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Title |
Advanced TEM investigations on Ni-Ti shape memory material: strain and concentration gradients surrounding Ni4Ti3 precipitates |
Type |
P1 Proceeding |
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Year |
2005 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
329-338 |
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Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
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Abstract |
Lattice deformations and concentration gradients surrounding Ni4Ti3 precipitates grown by appropriate annealing in a Ni51Ti49 B2 austenite matrix are determined by a combination of TEM techniques. Quantitative Fourier analysis of HRTEM images reveals a deformed nanoscale region with lattice deformations up to 2% while EELS and EDX indicate a Ni depleted zone up to 150 nm away from the matrix-precipitate interface. |
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Publisher |
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Place of Publication |
s.l. |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1-55899-790-3 |
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:55688 |
Serial |
75 |
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Author |
Schryvers, D. |
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Title |
Advanced TEM studies of martensite and related phase transformations |
Type |
H1 Book chapter |
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Year |
1999 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
947-956 |
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Keywords |
H1 Book chapter; Electron microscopy for materials research (EMAT) |
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Abstract |
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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. |
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Language |
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Wos |
000086479100208 |
Publication Date |
0000-00-00 |
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Series Editor |
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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:48373 |
Serial |
76 |
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Author |
van Cleempoel, A.; Joutsensaari, J.; Kauppinen, E.; Gijbels, R.; Claeys, M. |
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Title |
Aerosol synthesis and characterization of ultrafine fullerene particles |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Fullerene science and technology |
Abbreviated Journal |
Fullerene Sci Techn |
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Volume |
6 |
Issue |
4 |
Pages |
599-627 |
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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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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000074859200001 |
Publication Date |
2008-04-23 |
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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 |
1064-122X; |
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 |
3 |
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:24038 |
Serial |
78 |
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