Search results
- 1.0353665 - ÚOCHB 2011 RIV US eng J - Journal Article
Pašalič, H. - Aquino, A. J. A. - Tunega, D. - Haberhauer, G. - Gerzabek, M. H. - Georg, H. C. - Moraes, T. F. - Coutinho, K. - Canuto, S. - Lischka, Hans
Termodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments.
Journal of Computational Chemistry. Roč. 31, č. 10 (2010), s. 2046-2055. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : hydrogen-bonded systems * complexation in solution * thermodynamic properties * explicit and implicit solvation models * molecular dynamics and Monte Carlo simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.050, year: 2010
Permanent Link: http://hdl.handle.net/11104/0192842 - 2.0333442 - ÚOCHB 2010 RIV US eng J - Journal Article
Aquino, A. J. A. - Tunega, D. - Schaumann, G. E. - Haberhauer, G. - Gerzabek, M. H. - Lischka, Hans
Stabilizing Capacity of Water Bridges in Nanopore Segments of Humic Substances: A Theoretical Investigation.
Journal of Physical Chemistry C. Roč. 113, č. 37 (2009), s. 16468-16475. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA MŠMT LC512
Grant - others:ASF(AT) P20893-N19
Institutional research plan: CEZ:AV0Z40550506
Keywords : humanic substances * density functional theory * molecular dynamics simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.224, year: 2009
Permanent Link: http://hdl.handle.net/11104/0178420