๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Conformational analysis of polysilanes by the empirical force field method

โœ Scribed by John P. Hummel; Joseph Stackhouse; Kurt Mislow


Publisher
Elsevier Science
Year
1977
Tongue
French
Weight
552 KB
Volume
33
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Conformations of disaccharides by empiri
โœ Steen Melberg; Kjeld Rasmussen ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 417 KB

The conformational flexibility of //-gentiobiose has been studied by using convergent energy minimisation in a new force-field, with relaxation of all degrees of freedom. Twenty-four local minima are found in the q~,~,co-space. The free-cnthalpy differences are 1.7, 3.7, 5.1, 5.3, and from 5.9 to 29

Parameterization of OPLSโ€“AA force field
โœ Kalju Kahn; Thomas C. Bruice ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 826 KB

## Abstract The parameters for the OPLSโ€“AA potential energy function have been extended to include some functional groups that are present in macrocyclic polyketides. Existing OPLSโ€“AA torsional parameters for alkanes, alcohols, ethers, hemiacetals, esters, and ketoamides were improved based on MP2/

Conformational Analysis of cyclotrisilaz
โœ B. D. Lavrukhin; K. A. Andrianov; E. I. Fedin ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 804 KB

## Abstract ^1^H NMR spectra of substituted cyclotrisilazanes are discussed in terms of conformational analysis. Experimental spectra are consistent with an equilibrium involving chair conformers, following from simulating the effect of phenyl substituents and the temperature dependence of methyl p