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Theoretical description of dihydrogen/hydride and trihydride molybdocene complexes : an insight from static and molecular dynamics simulations
Journal
Journal of Computational Chemistry
35
Author
Piękoś Łukasz
Mitoraj Mariusz
Volume
34
Issue
4
Pages
294-304
ISSN
0192-8651
eISSN
1096-987X
Keywords in English
dihydrogen/hydride complexes
trihydride complexes
ETS-NOCV energy decomposition
Language
English
Container language
English
Affiliation
Wydział Chemii : Zakład Metod Obliczeniowych Chemii
Scopus© citations
10
cris.lastimport.scopus | 2024-04-07T14:24:20Z | |
cris.lastimport.wos | 2024-04-10T02:32:43Z | |
dc.affiliation | Wydział Chemii : Zakład Metod Obliczeniowych Chemii | pl |
dc.contributor.author | Piękoś, Łukasz - 145407 | pl |
dc.contributor.author | Mitoraj, Mariusz - 160142 | pl |
dc.date.accessioned | 2015-06-08T10:04:08Z | |
dc.date.available | 2015-06-08T10:04:08Z | |
dc.date.issued | 2013 | pl |
dc.description.admin | [AB] Piękoś, Łukasz [SAP13036563] 50000141 | pl |
dc.description.number | 4 | pl |
dc.description.physical | 294-304 | pl |
dc.description.volume | 34 | pl |
dc.identifier.doi | 10.1002/jcc.23129 | pl |
dc.identifier.eissn | 1096-987X | pl |
dc.identifier.issn | 0192-8651 | pl |
dc.identifier.uri | http://ruj.uj.edu.pl/xmlui/handle/item/8958 | |
dc.language | eng | pl |
dc.language.container | eng | pl |
dc.rights.licence | bez licencji | |
dc.subject.en | dihydrogen/hydride complexes | pl |
dc.subject.en | trihydride complexes | pl |
dc.subject.en | ETS-NOCV energy decomposition | pl |
dc.subtype | Article | pl |
dc.title | Theoretical description of dihydrogen/hydride and trihydride molybdocene complexes : an insight from static and molecular dynamics simulations | pl |
dc.title.journal | Journal of Computational Chemistry | pl |
dc.type | JournalArticle | pl |
dspace.entity.type | Publication |
Affiliations
Wydział Chemii
Piękoś, Łukasz
Mitoraj, Mariusz