𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab-initio molecular orbital study of the cis/trans conformations of the peptide bond

✍ Scribed by R. Ramani; Russell J. Boyd

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
405 KB
Volume
20
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Conformational analysis of allylamine. A
Conformational analysis of allylamine. An ab initio molecular orbital study
✍ James Kao; Jeffrey I. Seeman πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 575 KB

The conformational characteristics of allylamine were investigated by the ab initio STO-~G basis set. The results indicate that the molecule exists in a number of stable conformations through rotations about the CC-NH and CC-CN bonds. The TE ( &u~-CCNLP, LP representing lone-pair electrons, and ecli

Ab initio molecular orbital study of the
Ab initio molecular orbital study of the hydrogen-bonded pyrrole ⃛acetonitrile complex
✍ Henri Lumbroso; Giuseppe Concetto Pappalardo πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 500 KB

## Abstract The total dipole moments, molecular energies, and π‐electron densities for the linear and orthogonal pyrrole ⃛acetonitrile hydrogen‐bonded complexes were studied in the __ab initio__ valence bond framework using the minimal STO‐3G basis set. That the orthogonal conformation, although sl

SCF AB initio study of the protonation o
SCF AB initio study of the protonation of the peptide bond
✍ Alberte Pullman πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 365 KB

The polarization (energy lowering, electronic displacements and induced dipoles) and cbargr-transfer effects are separately computed for the approach of a proton in various directions towards formamide, and the further effect of the geometrical deformations of the attacked molecule is established. N

An AB initio molecular orbital study of
An AB initio molecular orbital study of the PF2 radical
✍ J.C. Cobb; A. Hinchliffe πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 129 KB

Kcccivud 4 Ocrobcr I97 3 Gaussian orbital calculations 01. the ESR coupling consrunts in the PI-2 radical arc prescnred, in cscellcnt agree mcnt with experiment.