Search results
- 1.0329037 - ÚMCH 2010 RIV HU eng C - Conference Paper (international conference)
Czernek, Jiří
On the optimization of the DF-SAPT-DFT interaction energies of hydrogen-bonded systems.
[Optimalizace DF-SAPT-DFT interakčních energií systémů s vodíkovými vazbami.]
Proceedings of the 5th WSEAS International Symposium on Simulation, Modelling and Optimization. Budapest: World Scientific and Engineering Academy and Society, 2009 - (Rudas, I.; Demiralp, M.; Mastorakis, N.), s. 237-241. Mathematics and Computers in Science and Engineering. ISBN 978-960-474-113-7.
[WSEAS International Symposium on Simulation, Modelling and Optimization /9./. Budapest (HU), 03.09.2009-05.09.2009]
R&D Projects: GA AV ČR IAA400500602; GA MŠMT 2B08021
Institutional research plan: CEZ:AV0Z40500505
Keywords : optimization * ab initio * DFT * interaction energy
Subject RIV: CD - Macromolecular Chemistry
http://www.wseas.us/books/2009/budapest/SMO.pdf
Permanent Link: http://hdl.handle.net/11104/0175178 - 2.0323558 - ÚMCH 2009 RIV GR eng C - Conference Paper (international conference)
Czernek, Jiří
Insights into the nature of intermolecular interactions in low-energy conformers of perindopril erbumine.
[Popis interakcí v nízkoležících konformerech perindopril erbuminu.]
Recent Advances in Mathematics and Computers in Biology and Chemistry. Athens: World Scientific and Engineerin Academy and Society, 2009 - (Mastorakis, N.; Croitoru, A.; Balas, V.; Son, E.; Mladenov, V.), s. 190-193. ISBN 978-960-474-062-8.
[WSEAS International Conference on Mathematics and Computers in Biology and Chemistry /10./. Prague (CZ), 23.03.2009-25.03.2009]
R&D Projects: GA AV ČR IAA400500602; GA MŠMT 2B08021
Institutional research plan: CEZ:AV0Z40500505
Keywords : perindopril erbumine * ab initio * conformation
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0171477