Collect. Czech. Chem. Commun.
2011, 76, 585-603
https://doi.org/10.1135/cccc2011047
Published online 2011-04-29 13:19:34
Effects of micro-hydration in proton transfer from H2S·NO+ complex to water: Ab initio and molecular dynamics study
Ivan Černušáka,*, Jozef Federiča, Pavel Jungwirthb and Milan Uhlárc
a Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, 842 15 Bratislava, Slovakia
b Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i. and Center for Biomolecules and Complex Molecular Systems, 166 10 Prague 6, Czech Republic
c Institute of Physics, Faculty of Philosophy and Science, Silesian University, Bezručovo nám. 13, 746 01 Opava 1, Czech Republic
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