Volume 13, Issue 5 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 13, Issue 5

January 1969

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7 articles in this issue

Investigation of the electronic structure of Ticl₄
C. A. L. Becker
C. J. Ballhausen
I. Trabjerg
Commentationes Pages: 355 - 364
Non-empirical LCAO-MO-SCF calculations with gaussian type functions on the electrocyclic transformation of cyclopropyl to allyl
D. T. Clark
D. R. Armstrong
Commentationes Pages: 365 - 380
Hartree-Fock-Roothaan wave functions, electron density distribution, diamagnetic susceptibility, dipole polarizability and antishielding factor for ions in crystals
Eustratios Paschalis
Alarich Weiss
Commentationes Pages: 381 - 408
Some new aspects of π-electron theory
M. V. Basilevsky
Commentationes Pages: 409 - 420
A modified Hückel method for calculating ring current contributions to the diamagnetic susceptibilities of conjugated hydrocarbons
A. T. Amos
H. G. Ff. Roberts
Commentationes Pages: 421 - 427
Spin contamination in PPP unrestricted Hartree-Fock wave functions
D. R. Burnham
Relatio Pages: 428 - 432
Erratum
M. F. Rettig
P. S. Han
T. P. Das
Erratum Pages: 432 - 432