Back to Results
First PageMeta Content
Crystal / Thermodynamic integration / Molecular dynamics / Gibbs free energy / Chemistry / Computational chemistry / Thermodynamic free energy


JOURNAL OF CHEMICAL PHYSICS VOLUME 109, NUMBER 1 1 JULY 1998
Add to Reading List

Document Date: 2015-04-09 13:00:38

Open Document

File Size: 537,27 KB

Share Result on Facebook

City

London / /

Company

LJ / Hoover / ABC / Matsuda / Helmholtz / Wilson / /

Country

Netherlands / /

Currency

pence / USD / /

Facility

Daan Frenkel FOM Institute / American Institute of Physics J. Chem / American Institute of Physics / /

IndustryTerm

modeled chain molecule systems / free energy calculations / energy conservation / lowest energy single-chain configuration / free energy analysis / chain free id energy / free energy / free energy difference / chemical potential curves / separate free energy calculation / molar energy / free energy calculation / internal potential energy / chemical potential / free energy barrier / absolute free energy / crystalline solid systems / average energy difference / free energy arising / excess chemical potential / chemical potentials / free energy calculation method / molecular systems / chemical potential difference / reference systems / liquid phase chemical potential / phase free energy / gas free energy / real molecular systems / potential energy / internal energy / chain molecule systems / thermodynamic integration free energy calculation techniques / energy calculations / low-energy / adjacent chains / short chains / /

Organization

American Institute of Physics / Daan Frenkel FOM Institute for Atomic and Molecular Physics / U.S. Securities and Exchange Commission / Federal Communications Commission / American Institute of Physics J. Chem / /

Person

Pieter Rein / James M. Polson / /

Position

molecular model ; / /

Product

B 47 / Eq / C 2 / /

ProgrammingLanguage

C / T / /

Technology

simulation / /

SocialTag