Calculations on open shell small molecules using different Gaussian orbitals for electrons with different spins

Farmer R.G. and Peacock T.E. (1977) Calculations on open shell small molecules using different Gaussian orbitals for electrons with different spins. Australian Journal of Chemistry, 30 5: 933-941. doi:10.1071/CH9770933


Author Farmer R.G.
Peacock T.E.
Title Calculations on open shell small molecules using different Gaussian orbitals for electrons with different spins
Journal name Australian Journal of Chemistry   Check publisher's open access policy
ISSN 1445-0038
Publication date 1977-01-01
Sub-type Article (original research)
DOI 10.1071/CH9770933
Open Access Status Not yet assessed
Volume 30
Issue 5
Start page 933
End page 941
Total pages 9
Subject 1600 Chemistry
Abstract An extension of Frost’s method to open shell systems using different floating spherical Gaussian orbitals for electrons with different spins is presented. The results of ab initio computations on some small molecules are given and the degree to which electron correlation is included is discussed.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: Scopus Import - Archived
 
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Created: Tue, 16 Aug 2016, 11:56:03 EST by System User