๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A program for nonempirical molecular SCF lcao mo calculations

โœ Scribed by N. M. Vitkovskaya; I. Ts. Lyast; Yu. L. Frolov

Publisher
SP MAIK Nauka/Interperiodica
Year
1972
Tongue
English
Weight
86 KB
Volume
13
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

LCAO MO SCF calculations on ClO2F3
LCAO MO SCF calculations on ClO2F3
โœ B.M. Rode; A. Engelbrecht ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 154 KB

Semi-cmpiriwl SCF calculntions fCNDO/7-) of the trigonnl-bipyramidal molecule ClOzF3 proved the Czv cont$,uration to hnvc the highest strtbilizntion, in accord wiih empirical rules, and with an interpretation of the IR sFecrntm of :1 wry recent first preparation of th!; compound. 1. lritroduction Qu

SCF LCAO MO calculation for MnOโˆ’4
SCF LCAO MO calculation for MnOโˆ’4
โœ Helge Johansen ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 474 KB

Ab initio SCF !\_CAO MO calculations, using gaussian-type functions and large basis sets with ncnr Hartree-Fock accuracy, have been carried out for the ground state of the permnnganate ion. The largest calculation performed ap plied 203 primitive gaussians.