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
Link To Document :
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