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An ab initio study of some heterocyclic 6π-carbenes

✍ Scribed by Ronald R. Sauers


Publisher
Elsevier Science
Year
1996
Tongue
French
Weight
245 KB
Volume
37
Category
Article
ISSN
0040-4039

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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