Title of article
How strong are the complexes between methane radical cation and noble gas atoms?
Author/Authors
Alkorta، نويسنده , , Ibon and Rozas، نويسنده , , Isabel and Elguero، نويسنده , , José، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
11
From page
281
To page
291
Abstract
This article studies the interaction the methane radical cation (C2v) with noble gas atoms (He, Ne, Ar, and Kr). A number of stationary points, between 5 and 7, have been located depending on the interacting noble gas atom. MP2, MP4 and CCSD-T computational levels with the 6-311++G(d,p) and 6-311++G(2d,2p) basis sets have been used. The minima show different characteristics depending on the interacting hydrogen atom, similar to hydrogen-bonded or van der Waals complexes. The transition states obtained indicate an easy transfer between the symmetrical and non-symmetrical complexes.
Journal title
Chemical Physics Letters
Serial Year
1999
Journal title
Chemical Physics Letters
Record number
1779437
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