𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab Initio Molecular Orbital Study on Molecular and Hydration Structures of Ectoine

✍ Scribed by Suenobu, Katsuhiro; Nagaoka, Masataka; Yamabe, Tokio; Nagata, Shinichi


Book ID
127189296
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
106 KB
Volume
102
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio molecular orbital study of 1-f
✍ G. I. Csonka; P. Hencsei πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 828 KB

## Abstract The molecular geometry of 1‐fluorosilatrane was optimized fully by restricted Hartree–Fock (HF) calculations using the 3‐21G, 3‐21G(__d__) and 6‐31G(__d__) basis sets, with the aim of locating the positions of the local minima on the energy hypersurface. The optimized geometries were co

Ab initio molecular orbital study of dim
✍ Anthony Popowicz; Takanobu Ishida πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 413 KB

Various dlmer configurations of iluoroform have been mdied by means of the GAUSSIAN-70 &on&n usmg the rnmlmal STO-3G basis set The largest dunenzation energy, 0 68 kul/mol. occurs in an end-to-end bnear geometry wth a H...F distance. of 2 3 A and the electron donor molecule tilted at 45O with respec