๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Theoretical Study of the Effects of Protonation and Deprotonation on Bond Dissociation Energies of Second-Row Elements: Comparison with First-Row Elements

โœ Scribed by Boyd, Susan L.; Boyd, Russell J.


Book ID
126906957
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
153 KB
Volume
119
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Comparison between 6-31 + bond functions
โœ P. Mach; O. Kysel ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 354 KB

A basis set with bond functions (6-31G + BF) has been tested for its applicability to calculation of dissociation energies of single and multiple bonds by Moeller-Plesset perturbation theory at the second and third orders. Results have been compared with those calculated in the 6-31G\* basis set. Th