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A comment on the V state of ethylene
Author(s) -
Huzinaga S.,
Mcwilliams D.,
Cantu A. A.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560050814
Subject(s) - ethylene , state (computer science) , computational chemistry , chemical physics , statistical physics , chemistry , theoretical physics , materials science , physics , organic chemistry , computer science , algorithm , catalysis
We have attempted to obtain a wave function for the V state of ethylene which is of a reasonable size, rather than very diffuse, by floating molecular orbitals and also Coulson‐Fischer‐type orbitals. The attempts seem to have failed.