๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Hybrid-Density Functional Theory Study and Natural Bond Orbital Interpretation of the Conformational Behavior of 1,3-Dioxanyl, 1,3-Dithianyl, and 1,3-Diselenanyl Carbanions

โœ Scribed by Mousavi, Seiedeh Negar; Yahyaei, Hooriye


Book ID
120231282
Publisher
Taylor and Francis Group
Year
2012
Tongue
English
Weight
270 KB
Volume
187
Category
Article
ISSN
1042-6507

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Density functional theory studies of tra
โœ Michael Barfield; Jon M. Bergset; Daniel J. O'Leary ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 426 KB

Density functional theory (DFT) methods were used to investigate the conformational dependence of transannular H-H coupling constants in half-cage alcohols and cage diols. Finite perturbation theory (FPT) was used to obtain the Fermi contact (FC) contributions to scalar coupling constants in three h