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The prediction of molecular geometry. CH 4 +
Author(s) -
Handler George S.,
Joy Hubert W.
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.560040718
Subject(s) - planar , geometry , square (algebra) , center (category theory) , current (fluid) , state (computer science) , physics , mathematics , chemistry , computer science , algorithm , thermodynamics , crystallography , computer graphics (images)
The current state of one‐center calculations is discussed, with emphasis on the problem of predicting the geometry of AH n type systems. The principles considered are applied to CH 4 + , which is found to be nearly square planar.
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