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SCF-MO study of the polyhydration of N,N′ -dimethylmalonamide

✍ Scribed by ALEMÁN, CARLOS ;PEREZ, JUAN J.


Book ID
115099544
Publisher
Wiley (Blackwell Publishing)
Year
2009
Tongue
English
Weight
454 KB
Volume
41
Category
Article
ISSN
0367-8377

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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