Systematic Procedure To Parametrize Force Fields for Molecular Fluids-Reference-Cited by-同舟云学术

Systematic Procedure To Parametrize Force Fields for Molecular Fluids

Published:2015-01-07 Issue:2 Volume:11 Page:683-693
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Salas Frank José¹,Méndez-Maldonado G. Arlette¹,Núñez-Rojas Edgar¹,Aguilar-Pineda Gabriel Eloy²,Domínguez Hector³,Alejandre José¹

Affiliation:

1. Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340, México Distrito Federal, México

2. Colegio de Ciencia y Tecnología, Universidad Autónoma de la Ciudad de México, Fray Servando Teresa de Mier 99, 06080, México Distrito Federal, México

3. Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, 04510, México Distrito Federal, México

Funder

Consejo Nacional de Ciencia y Tecnolog?a

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500853q

Reference46 articles.

1. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

2. Development and testing of a general amber force field