๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

INDO-MO calculations of hyperfine splitting constants for pyridine anions

โœ Scribed by D. M. Hirst


Publisher
Springer
Year
1971
Tongue
English
Weight
324 KB
Volume
20
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Calculation of the hyperfine splitting c
โœ Kent W. Richman; Zhong-guo Shi; E.A. McCullough Jr. ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 675 KB

Isotropic and anisotropic hypertlne splitting constants have been calculated for the \*2 states of BeH, MgH, CN, and CP. All wavefunctions were calculated numerically using our partial-wave procedure. Spin polarization has been introduced with selected single excitations from the restricted Hartree-

Abinttio calculation of the ionization p
โœ Minh Tho Nguyen; Tae-Kyu Ha ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 419 KB

Employing a CI wavefunction with a DZ + (2d) basis set, the isotropic hyperflne splitting constants for the F and Cl nuclei in the gas-phase radical anions FCl-and Cl, were evaluated. The ionization potentials are calculated as 2.1 O-2.27 eV for FCl-and 2.22-2.28 eV for Cl;, the latter comparing wel