๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab initio SCF MO study on the force field of amides

โœ Scribed by Yoko Sugawara; Akiko Y. Hirakawa; Masamichi Tsuboi; Shigeki Kato; Keiji Morokuma


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
854 KB
Volume
115
Category
Article
ISSN
0022-2852

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


AB initio SCF LCAO MO study of the HOHโ€ฆC
โœ Lucjan Piela ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 312 KB

Ab initio SCF LCAO hi0 calculations for the [ HzO.. Cl]complex have been performed. The energy of the linear hydrogen bond has been found to be.lower than the energy of the bifurcated one. The difference of the energies is about 3 kcai/mole. The calculated equilibrium distance between the oxygen and

An AB initio SCF MO CI study of the n โ†’
โœ Kazuo Kitaura; Yoshihiro Osamura; Kichisuke Nishimoto ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 443 KB

The electron mrrefation energies of both the ground and n -+ n\* excited states ofrne~y~e~~~e (CHaNH) are investi-@ted by means of ab initio SCF hf0 CI calculations. The n-r ZT\* sir&et and triptet state energies of methylenimine are obtained througb 3461-dimensional CL including the singly, doubly