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An ab-initio SCF-MO study of the solvent effect in α-substituted carbanions

✍ Scribed by Fernando Bernardi; Giorgio Suzzi Valli; Alessandro Venturini


Book ID
107803093
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
527 KB
Volume
198
Category
Article
ISSN
0022-2860

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The electron mrrefation energies of both the ground and n -+ n\* excited states ofrne~y~e~~~e (CHaNH) are investi-@ted by means of ab initio SCF hf0 CI calculations. The n-r ZT\* sir&et and triptet state energies of methylenimine are obtained througb 3461-dimensional CL including the singly, doubly