An ab initio molecular orbital study of some binary complexes of water.
Ab initio molecular orbital theory has been successful in predicting the stabilities of many weak complexes; typical of these are the complexes formed between water and various small molecules. To account for the correlation effect, Moller-Plesset perturbation theory truncated at the second order l...
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| Language: | en |
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2012
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| Online Access: | http://hdl.handle.net/10413/5069 |