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Records |
Links |
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Author |
Wen, X.; Peeters, F.M.; Devreese, J.T. |
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Title |
Streaming-to-accumulation transition in a two-dimensional electron system in a polar semiconductor |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
46 |
Issue |
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Pages |
7571-7580 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Corporate Author |
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Place of Publication |
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Wos |
A1992JQ37800028 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:2913 |
Serial |
3175 |
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Permanent link to this record |
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Author |
Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T. |
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Title |
Strong-coupling analysis of large bipolarons in 2 and 3 dimensions |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
45 |
Issue |
10 |
Pages |
5262-5269 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
In the limit of strong electron-phonon coupling, we use either a Pekar-type or an oscillator wave function for the center-of-mass coordinate and either a Coulomb or an oscillator wave function for the relative coordinate, and are able to reproduce all the results from the literature for the large-bipolaron binding energy. Lower bounds are constructed for the critical ratio eta(c) of dielectric constants below which bipolarons can exist. It is found that, in the strong-coupling limit, the stability region for bipolaron formation is much larger in two dimensions (2D) than in 3D. We introduce a model that combines the averaging of the relative coordinate over the asymptotically best wave function with a path-integral treatment of the center-of-mass motion. The stability region for bipolaron formation is increased compared with the full path-integral treatment at large values of the coupling constant alpha. The critical values are alpha(c) almost-equal-to 9.3 in 3D and alpha(c) almost-equal-to 4.5 in 2D. Phase diagrams for the presented models are also obtained in both 2D and 3D. |
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Corporate Author |
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Place of Publication |
Lancaster, Pa |
Editor |
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Wos |
A1992HJ68900016 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
68 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:103051 |
Serial |
3178 |
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Permanent link to this record |
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Author |
Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T. |
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Title |
Strong-coupling analysis of large bipolarons in two and three dimensions |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
45 |
Issue |
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Pages |
5262-5269 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1992HJ68900016 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
68 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:2891 |
Serial |
3179 |
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Permanent link to this record |
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Author |
Vansant, P.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T. |
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Title |
Strong-coupling limit for one-dimensional polarons in a finite box |
Type |
A1 Journal article |
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Year |
1996 |
Publication |
Zeitschrift für Physik: B: condensed matter and quanta |
Abbreviated Journal |
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Volume |
99 |
Issue |
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Pages |
345-351 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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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 |
A1996TW44800007 |
Publication Date |
2002-08-25 |
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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 |
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Edition |
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ISSN |
0722-3277;1431-584X; |
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 |
1 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:15035 |
Serial |
3180 |
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Permanent link to this record |
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Author |
Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
The structure, energetics, and harmonic vibrations of B3N |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
201 |
Issue |
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Pages |
54-58 |
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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 |
A1993KF37900010 |
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 |
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Edition |
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ISSN |
0009-2614; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.897 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:6145 |
Serial |
3302 |
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Permanent link to this record |
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Author |
Martin, J.M.L.; Slanina, Z.; François, J.P.; Gijbels, R. |
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Title |
The structure, energetics, and harmonic vibrations of B3N and BN3 |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Molecular physics |
Abbreviated Journal |
Mol Phys |
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Volume |
82 |
Issue |
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Pages |
155-164 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1994NN66200010 |
Publication Date |
2006-04-04 |
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Series Editor |
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Series Title |
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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 |
0026-8976;1362-3028; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.72 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:10254 |
Serial |
3303 |
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Permanent link to this record |
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Author |
Verheijen, M.A.; Meekes, H.; Meijer, G.; Bennema, P.; de Boer, J.L.; van Smaalen, S.; Van Tendeloo, G.; Amelinckx, S.; Muto, S.; van Landuyt, J. |
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Title |
The structure of different phases of pure C70 crystals |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Chemical physics |
Abbreviated Journal |
Chem Phys |
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Volume |
166 |
Issue |
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Pages |
287-297 |
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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 |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1992JQ46300026 |
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 |
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Edition |
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ISSN |
0301-0104; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.652 |
Times cited |
168 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:4104 |
Serial |
3309 |
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Permanent link to this record |
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Author |
Van Tendeloo, G.; Amelinckx, S.; Muto, S.; Verheijen, M.A.; van Loosdrecht, P.H.M.; Meijer, G. |
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Title |
Structures and phase transitions in C60 and C70 fullerites |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
51 |
Issue |
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Pages |
168-188 |
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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 |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1993LN79100017 |
Publication Date |
2002-10-18 |
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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 |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.436 |
Times cited |
17 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:6836 |
Serial |
3319 |
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Permanent link to this record |
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Author |
Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R. |
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Title |
Structures and thermochemistry of B3N3 and B4N4 |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
232 |
Issue |
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Pages |
289-294 |
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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 |
A1995QC33700018 |
Publication Date |
2002-07-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0009-2614; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.897 |
Times cited |
35 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:12278 |
Serial |
3320 |
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Permanent link to this record |
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Author |
Goutenoire, F.; Maignan, A.; Van Tendeloo, G.; Martin, C.; Michel, C.; Hervieu, M.; Raveau, B. |
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Title |
Substitution of mercury for thallium in the 2223 cuprate: the 130K superconductor Tl1.6Hg0.4Ba2Cu3O10-x |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
90 |
Issue |
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Pages |
47-50 |
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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 |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1994ND06400010 |
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 |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.897 |
Times cited |
16 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:10031 |
Serial |
3345 |
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Permanent link to this record |
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Author |
Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B. |
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Title |
Superconductivity up to 110K in the 1212-Hg based cuprate Nd1-xCaxBa2Hg1-xCu2+xO6+y |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
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Volume |
216 |
Issue |
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Pages |
1-5 |
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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 |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1993MD16100001 |
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 |
0921-4534 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.942 |
Times cited |
32 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:6848 |
Serial |
3375 |
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Permanent link to this record |
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Author |
Kopnin, E.M.; Antipov, E.V.; Capponi, J.J.; Bordet, P.; Chaillout, C.; de Brion, S.; Marezio, M.; Bobylev, A.P.; Van Tendeloo, G. |
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Title |
Suppression of superconductivity in Hg-1223 and Hg-1234 by partial replacement of Hg by carbon |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
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Volume |
243 |
Issue |
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Pages |
222-232 |
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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 |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1995QL44700004 |
Publication Date |
2003-04-05 |
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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 |
0921-4534; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.942 |
Times cited |
22 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:13305 |
Serial |
3387 |
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Permanent link to this record |
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Author |
Pelloquin, D.; Hervieu, M.; Michel, C.; Van Tendeloo, G.; Maignan, A.; Raveau, B. |
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Title |
A 94K Hg-based superconductor with a “1212” structure HG0.5Bi0.5Sr2Ca1-xRxCu2O6+\delta (R=ND,Y,Pr) |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
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Volume |
216 |
Issue |
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Pages |
257-263 |
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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 |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1993ME74800004 |
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 |
0921-4534 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.942 |
Times cited |
62 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:6844 |
Serial |
21 |
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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 |
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Year |
1991 |
Publication |
Zeitschrift für Physik : D : atoms, molecules and clusters |
Abbreviated Journal |
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Volume |
21 |
Issue |
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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 |
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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 |
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 |
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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 |
|
|
|
Language |
|
Wos |
A1994NN02600016 |
Publication Date |
2002-07-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.897 |
Times cited |
14 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:10255 |
Serial |
36 |
|
Permanent link to this record |
|
|
|
|
Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
|
|
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 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level. |
|
|
Address |
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|
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Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
A1994PE00500008 |
Publication Date |
2002-07-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.897 |
Times cited |
46 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:10256 |
Serial |
37 |
|
Permanent link to this record |
|
|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
|
Title |
Ab initio study of the structure, infrared spectra and heat of formation of C4 |
Type |
A1 Journal article |
|
Year |
1991 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
|
Volume |
94 |
Issue |
|
Pages |
3753-3761 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
A1991FA77800052 |
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.952 |
Times cited |
62 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:715 |
Serial |
38 |
|
Permanent link to this record |
|
|
|
|
Author |
Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
|
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 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
2.952 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:720 |
Serial |
39 |
|
Permanent link to this record |
|
|
|
|
Author |
Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
|
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 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
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 |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
A1996UJ45000017 |
Publication Date |
2003-05-12 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.897 |
Times cited |
28 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:12328 |
Serial |
40 |
|
Permanent link to this record |
|
|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
|
Title |
Accurate ab initio quartic force fields and thermochemistry of FNO and CINO |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
The journal of physical chemistry |
Abbreviated Journal |
|
|
|
Volume |
98 |
Issue |
44 |
Pages |
11394-11400 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO. |
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Address |
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Corporate Author |
|
Thesis |
|
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|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
A1994PP89400022 |
Publication Date |
2005-03-15 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3654;1541-5740; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
21 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:12310 |
Serial |
44 |
|
Permanent link to this record |
|
|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
|
Title |
Accurate ab initio quartic force fields for the sulfur compounds H2S, CS2, OCS and CS |
Type |
A1 Journal article |
|
Year |
1995 |
Publication |
Journal of molecular spectroscopy |
Abbreviated Journal |
J Mol Spectrosc |
|
|
Volume |
169 |
Issue |
|
Pages |
445-457 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
A1995QD98400014 |
Publication Date |
2002-09-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-2852; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.482 |
Times cited |
37 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:12277 |
Serial |
45 |
|
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 |
van Straaten, M.; Swenters, K.; Gijbels, R.; Verlinden, J.; Adriaenssens, E. |
|
|
Title |
Analysis of platinum powder by glow discharge mass spectrometry |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
|
|
Volume |
9 |
Issue |
|
Pages |
1389-1397 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
A1994PY14900012 |
Publication Date |
2004-04-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.466 |
Times cited |
17 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:10253 |
Serial |
103 |
|
Permanent link to this record |
|
|
|
|
Author |
Veldeman, E.; Van 't dack, L.; Gijbels, R.; Campbell, M.; Vanhaecke, F.; Vanhoe, H.; Vandecasteele, C. |
|
|
Title |
Analysis of thermal waters by ICP-MS |
Type |
H3 Book chapter |
|
Year |
1991 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
25-33 |
|
|
Keywords |
H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
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Corporate Author |
|
Thesis |
|
|
|
Publisher |
The Royal Society of Chemistry |
Place of Publication |
Cambridge |
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 |
no |
|
|
Call Number |
UA @ lucian @ c:irua:707 |
Serial |
105 |
|
Permanent link to this record |
|
|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
|
|
Title |
The anharmonic force field of thioformaldehyde, H2CS |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
Journal of molecular spectroscopy |
Abbreviated Journal |
J Mol Spectrosc |
|
|
Volume |
168 |
Issue |
|
Pages |
363-373 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
A1994PU60800015 |
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-2852 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.482 |
Times cited |
18 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:10259 |
Serial |
119 |
|
Permanent link to this record |
|
|
|
|
Author |
Smondyrev, M.A.; Devreese, J.T.; Peeters, F.M. |
|
|
Title |
Asymptotic expansions in the path integral approach to the bipolaron problem |
Type |
A1 Journal article |
|
Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
51 |
Issue |
|
Pages |
15008-15016 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
|
|
Abstract |
|
|
|
Address |
|
|
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Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
A1995RC32900022 |
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 |
32 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:11693 |
Serial |
161 |
|
Permanent link to this record |
|
|
|
|
Author |
Van Tendeloo, G.; Krekels, T.; Amelinckx, S.; Hervieu, M.; Raveau, B.; Greaves, C. |
|
|
Title |
Atomic resolution of interfaces in ceramic-superconductors |
Type |
P3 Proceeding |
|
Year |
1995 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
35-38 |
|
|
Keywords |
P3 Proceeding; 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 |
Peking University Press |
Place of Publication |
Beijing |
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 |
no |
|
|
Call Number |
UA @ lucian @ c:irua:13318 |
Serial |
180 |
|
Permanent link to this record |
|
|
|
|
Author |
Van Tendeloo, G.; Chaillout, C.; Capponi, J.J.; Marezio, M.; Antipov, E.V. |
|
|
Title |
Atomic structure and defect structure of the superconducting HgBa2Can-1CunO2n+2+\delta homologous series |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
|
Volume |
223 |
Issue |
3/4 |
Pages |
219-226 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The perfect as well as the defect structure of several members of the superconducting family HgBa2Can-1CunO2n+2+delta have been studied in detail by electron diffraction and high-resolution electron microscopy Identification of the cation configuration is possible, even in the defect regions, with the help of computer simulations. The fine structure of several defects is analyzed in detail, the most common defect being the intergrowth of slabs corresponding to different n values in the title formula. In general, however, the crystals are of a high perfection, particularly for the lower n members. The occurrence of double (HgO)delta layers is seen occasionally, indicating the possible existence of a material with a double mercury layer. Some of these defects are possibly related to recently discovered anomalies at 250 K in these compounds. |
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Address |
|
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Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
A1994NG47600003 |
Publication Date |
2002-10-17 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
0.942 |
Times cited |
30 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:10028 |
Serial |
196 |
|
Permanent link to this record |
|
|
|
|
Author |
Peeters, F.M.; Golub, J.E. |
|
|
Title |
Binding energy of the barbell exciton |
Type |
A1 Journal article |
|
Year |
1991 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
43 |
Issue |
|
Pages |
5159-5162 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
A1991EY62300076 |
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
1098-0121; 0163-1829 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:955 |
Serial |
239 |
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Permanent link to this record |
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Author |
Helm, M.; Hilber, W.; Fromherz, T.; Peeters, F.M.; Alavi, K.; Pathak, R.N. |
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Title |
Bloch and localized electrons in semiconductor superlattices |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Semiconductor science and technology |
Abbreviated Journal |
Semicond Sci Tech |
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Volume |
9 |
Issue |
|
Pages |
1989-1993 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1994PT27100023 |
Publication Date |
2002-08-25 |
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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 |
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Edition |
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ISSN |
0268-1242;1361-6641; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.19 |
Times cited |
1 |
Open Access |
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Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:9370 |
Serial |
244 |
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Permanent link to this record |