Autor:	Hudson D. Stern, J. Ilja Siepmann, Becky L. Eggimann, Amara J. Sunnarborg, Andrew P. Bliss
Rok vydání:	2013
Předmět:	Phase equilibrium Chemistry Computational chemistry General Chemical Engineering Modeling and Simulation General Materials Science General Chemistry Statistical physics Condensed Matter Physics Force field (chemistry) Information Systems
Zdroj:	Molecular Simulation. 40:101-105
ISSN:	1029-0435 0892-7022
Popis:	The transferable potentials for phase equilibria (TraPPE) force field aims to be accurate, computationally efficient and applicable to a wide range of chemical compounds, state points and thermophy...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::38ce2790bf79b6d85a6190e613dba5d0 https://doi.org/10.1080/08927022.2013.842994 Zobrazit plný text záznamu