๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Effective hamiltonians and the quasidegeneracy problem: Calculations on ethylene

โœ Scribed by Paul A. Westhaus


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
434 KB
Volume
16
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Ab initio effective Hamiltonian calculat
โœ Jong Keun Park; Hosung Sun ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 399 KB

The second-order ab initio effective valence shell Hamiltonian of quasi-degenerate many-body perturbation theory has been used to determine the valence state potential energy curves of SH and SH +. The calculated spectroscopic constants of various valence states are in good agreement with those of e

Solvent Effect on the Protonation of Ace
โœ Alessandro Bagno; Giorgio Modena ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 234 KB ๐Ÿ‘ 2 views

The protonation of acetylene and ethylene (yielding the vinyl aqueous basicities afforded the hydration energies of the protonated bases. It was found that the aqueous protonation of and ethyl cation, respectively) was investigated computationally by ab initio calculations [B3LYP/6-31G(d,p)], in the