๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Model of silica glass from combined classical and ab initio molecular-dynamics simulations

โœ Scribed by M. Benoit; S. Ispas; P. Jund; R. Jullien


Publisher
Springer
Year
2000
Tongue
English
Weight
184 KB
Volume
13
Category
Article
ISSN
1434-6036

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Spectroscopic Properties in the Liquid P
โœ Michele Pavone; Giuseppe Brancato; Giovanni Morelli; Vincenzo Barone ๐Ÿ“‚ Article ๐Ÿ“… 2006 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 210 KB ๐Ÿ‘ 1 views

## Abstract __We present an integrated computational tool, rooted in density functional theory, the polarizable continuum model, and classical molecular dynamics employing spherical boundary conditions, to study the spectroscopic observables of molecules in solution. As a test case, a modified OPLS