How strong are the complexes between methane radical cation and noble gas atoms?
Chemical Physics Letters, ISSN: 0009-2614, Vol: 311, Issue: 3, Page: 281-291
1999
- 5Citations
- 7Captures
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Article Description
This article studies the interaction the methane radical cation (C 2v ) 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.
Bibliographic Details
http://www.sciencedirect.com/science/article/pii/S0009261499008374; http://dx.doi.org/10.1016/s0009-2614(99)00837-4; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0001707261&origin=inward; http://linkinghub.elsevier.com/retrieve/pii/S0009261499008374; http://api.elsevier.com/content/article/PII:S0009261499008374?httpAccept=text/xml; http://api.elsevier.com/content/article/PII:S0009261499008374?httpAccept=text/plain; https://linkinghub.elsevier.com/retrieve/pii/S0009261499008374; http://dx.doi.org/10.1016/s0009-2614%2899%2900837-4; https://dx.doi.org/10.1016/s0009-2614%2899%2900837-4
Elsevier BV
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