Počet záznamů: 1
On Independence of the Solvation of Interaction Sites of a Water Molecule
- 1.0166840 - UCHP-M 20030157 RIV US eng J - Článek v odborném periodiku
Předota, Milan - Ben-Naim, A. - Nezbeda, Ivo
On Independence of the Solvation of Interaction Sites of a Water Molecule.
Journal of Chemical Physics. Roč. 118, č. 14 (2003), s. 6446-6454. ISSN 0021-9606. E-ISSN 1089-7690
Grant CEP: GA ČR GA203/01/0464; GA AV ČR IAA4072908
Výzkumný záměr: CEZ:AV0Z4072921
Klíčová slova: water * thermodynamics * EPM5 mode
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.950, rok: 2003
To support simplifying assumptions used in analytic theories of aqueous systems, we have used computer simulations to examine correlations in the bonding of the individual sites of a water molecule using two qualitatively different extended primitive models EPM4 and EPM5. We have studied these correlations not only for the fully interacting water molecule but also for a series of other solutes made from the water molecule by turning off some of its interaction sites.
Trvalý link: http://hdl.handle.net/11104/0063949
Počet záznamů: 1