Abstract
We have performed Density Functional Theory B3LYP/6-311++G** calculations of reaction enthalpies of
* Corresponding authors
a
J. Heyrovský Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejškova 3, CZ-182 23 Prague 8, Czech Republic
E-mail:
jozef.lengyel@jh-inst.cas.cz
b Department of Physical Chemistry, Institute of Chemical Technology, Technická 5, CZ-166 28 Prague 6, Czech Republic
c
Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in Bratislava, Radlinského 9, SK-812 37 Bratislava, Slovakia
E-mail:
erik.klein@stuba.sk
We have performed Density Functional Theory B3LYP/6-311++G** calculations of reaction enthalpies of
J. Lengyel, J. Rimarčík, A. Vagánek and E. Klein, Phys. Chem. Chem. Phys., 2013, 15, 10895 DOI: 10.1039/C3CP00095H
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