๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A computer program to determine the molecular point group and the symmetry adapted orbitals

โœ Scribed by Claude Leforestier; Olivier Kahn


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
521 KB
Volume
1
Category
Article
ISSN
0097-8485

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


A Symmetry adapted tessellation of the G
โœ Christian Silvio Pomelli; Jacopo Tomasi; Roberto Cammi ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 233 KB

## Abstract A procedure to partition the GEPOL molecular surface into tesserae that respects the molecular symmetry constraints is presented. Using this method it is possible to build a solvent reaction field for the Polarizable Continuum Model with the same symmetry of the nuclear potential. Sever

Computer program for the parametric and
โœ William D. Blaker ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 614 KB

BASIC program is described which, upon the input of raw data from an experiment comparing several treatment groups to a control, will output group parameters (mean, SEM), test for outliers in each group (maximum normalized residual test), and examine the homogeneity of variance (Bartlett's test). Su

Study of localized molecular orbitals us
โœ Taijin Zhou; Aimin Liu ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 682 KB

Group theoretic methods are presented for the transformations of integrals and the evaluation of matrix elements encountered in multiconfigurational self-consistent field (MCSCF) and configuration interaction (CI) calculations. The method has the advantages of needing only to deal with a symmetry un