๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A robust method of calculating surface atomic geometry

โœ Scribed by A. Umerski; G.P. Srivastava


Book ID
118367178
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
366 KB
Volume
307-309
Category
Article
ISSN
0039-6028

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Method of calculating surface tension
โœ N. K. Bolotin; A. M. Fastovskii; A. M. Shelomentsev ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Springer US ๐ŸŒ English โš– 145 KB
Atomic geometry of the PbS(100) surface
โœ T. Kendelewicz; P. Liu; G.E. Brown Jr; E.J. Nelson ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 779 KB
A method for calculating atomic charges
โœ John Mullay ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 599 KB

A simple electronegativity method is used to calculate atomic charges for molecules of interest to biochemistry. These include purines, pyrimidines, and amino acids. Results are compared to those obtained from other theoretical methods (ab initio and semiempirical) as well as to nuclear magnetic res