๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers

โœ Scribed by Vorobyov, Igor; Anisimov, Victor M.; Greene, Shannon; Venable, Richard M.; Moser, Adam; Pastor, Richard W.; MacKerell, Alexander D.

Book ID
126322556
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
175 KB
Volume
3
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Polarizable empirical force field for ni
Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator
โœ Pedro E. M. Lopes; Guillaume Lamoureux; Alexander D. Mackerell Jr. ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 636 KB

## Abstract The polarizable empirical CHARMM force field based on the classical Drude oscillator has been extended to the nitrogenโ€containing heteroaromatic compounds pyridine, pyrimidine, pyrrole, imidazole, indole, and purine. Initial parameters for the sixโ€membered rings were based on benzene wi

Polarizable empirical force field for su
Polarizable empirical force field for sulfur-containing compounds based on the classical Drude oscillator model
โœ Xiao Zhu; Alexander D. Mackerell Jr. ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 321 KB

## Abstract Condensedโ€phase computational studies of molecules using molecular mechanics approaches require the use of force fields to describe the energetics of the systems as a function of structure. The advantage of polarizable force fields over nonpolarizable (or additive) models lies in their