๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

ChemInform Abstract: An Orbital Phase Theory

โœ Scribed by Satoshi Inagaki


Publisher
John Wiley and Sons
Year
2011
Weight
18 KB
Volume
42
Category
Article
ISSN
0931-7597

No coin nor oath required. For personal study only.

โœฆ Synopsis


Abstract

Review: 146 refs.


๐Ÿ“œ SIMILAR VOLUMES


An accurate numerical multicenter integr
โœ Hideaki Ishikawa; Kazuo Yamamoto; Kazumi Fujima; Misako Iwasawa ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 321 KB

A powerful and accurate numerical three-dimensional integration scheme was developed especially for molecular orbital calculations. A multicenter integral is decomposed into the sum of single-center integrals using nuclear weight functions and calculated using Gaussian quadrature rules. The decompos