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Ab initio calculation of the inversion barrier in the germyl radical

✍ Scribed by J. Moc; J. M. Rudziński; H. Ratajczak

Book ID
105192927
Publisher
Springer
Year
1992
Tongue
English
Weight
609 KB
Volume
22
Category
Article
ISSN
1434-6060

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Ab initio calculation of the inversion b
Ab initio calculation of the inversion barrier in ammonia
✍ A. Pipano; R.R. Gilman; C.F. Bender; I. Shavitt 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 187 KB

configuration interaction calculation of the inversion barrier in ammonia. using an edended Slater-type basis set and including all singly and doubly excited configurations relative to the SCF confif;liration, indicates that as much as half the barrier may be due to correlation effects.