๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Density Functional Calculations of Hyperfine Coupling Constants in Alanine-Derived Radicals

โœ Scribed by Lahorte, Philippe; De Proft, Frank; Vanhaelewyn, Gauthier; Masschaele, Bert; Cauwels, Peter; Callens, Freddy; Geerlings, Paul; Mondelaers, Wim


Book ID
120993309
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
131 KB
Volume
103
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Density-functional-theory calculations o
โœ Nobuhiko Ishii; Tatsuo Shimizu ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 394 KB

Isotropic hypefine coupling constants for the radicals BH2, CH? , NH2, OH:, BHr , CH,, NH:, H\*CN, HzCO+ and CH&H are calculated using density-functional theory with a gradient-corrected local-spin-density approximation and a Slater-type-orbital basis set. The agreement between the calculated and ob