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Insights into the nature of intermolecular interactions in low-energy conformers of perindopril erbumine
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SYSNO ASEP 0323558 Document Type C - Proceedings Paper (int. conf.) R&D Document Type Conference Paper Title Insights into the nature of intermolecular interactions in low-energy conformers of perindopril erbumine Title Popis interakcí v nízkoležících konformerech perindopril erbuminu Author(s) Czernek, Jiří (UMCH-V) RID Source Title Recent Advances in Mathematics and Computers in Biology and Chemistry. - Athens : World Scientific and Engineerin Academy and Society, 2009 / Mastorakis N. E. ; Croitoru A. ; Balas V. E. ; Son E. ; Mladenov V. - ISBN 978-960-474-062-8 Pages s. 190-193 Number of pages 4 s. Action WSEAS International Conference on Mathematics and Computers in Biology and Chemistry /10./ Event date 23.03.2009-25.03.2009 VEvent location Prague Country CZ - Czech Republic Event type WRD Language eng - English Country GR - Greece Keywords perindopril erbumine ; ab initio ; conformation Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400500602 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) 2B08021 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40500505 - UMCH-V (2005-2011) UT WOS 000265406500029 Annotation The DF-SAPT-DFT approach has been employed to study the contributions to the interaction energy between perindopril and tert-butylamine parts of perindopril erbumine in the four structural arrangements, which have been previously described at the RI-MP2/SVP level of quantum chemical theory. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2009
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