Volume 77, Issue 5 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 77, Issue 5

September 1990

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5 articles in this issue

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions
Per-Olof Widmark
Per-Åke Malmqvist
Björn O. Roos
OriginalPaper Pages: 291 - 306
Enumeration of non-rigid molecules by means of unit subduced cycle indices
Shinsaku Fujita
OriginalPaper Pages: 307 - 321
Theoretical study of the⁶Σ⁺,⁶Π, and⁴Σ⁺ van der Waals states of NO
Harry Partridge
Charles W. Bauschlicher Jr.
Stephen R. Langhoff
OriginalPaper Pages: 323 - 331
Predissociation lifetime of the 1σ _g ² 2σ_g diabatic state of He ₂ ⁺ : a one-channel approach
Aristophanes Metropoulos
OriginalPaper Pages: 333 - 341
MRINDO/S-CI calculation on the electronic spectra of higher azines
R. S. Prasad
B. N. Rai
OriginalPaper Pages: 343 - 357