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An ab initio SCF-MO study of the relative stability of carbonyl imines (R2CO—NR)

✍ Scribed by Julianna A. Altmann; Henry S. Rzepa


Book ID
119116781
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
310 KB
Volume
149
Category
Article
ISSN
0166-1280

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An AB initio SCF MO CI study of the n →
✍ Kazuo Kitaura; Yoshihiro Osamura; Kichisuke Nishimoto 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 443 KB

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