Potential of Mean Force Calculations for an SN2 Fluorination Reaction in Five Different Imidazolium Ionic Liquid Solvents Using Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Potential of Mean Force Calculations for an SN2 Fluorination Reaction in Five Different Imidazolium Ionic Liquid Solvents Using Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations

Published:2020-04-30 Issue:21 Volume:124 Page:4338-4357
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Sánchez-Badillo Joel¹,Gallo Marco²^ORCID,Guirado-López Ricardo A.³^ORCID,González-García Raúl¹

Affiliation:

1. Facultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, Av. Dr. Manuel Nava No. 6, Zona Universitaria, San Luis Potosí, San Luis Potosí C.P. 78210, México

2. Tecnológico Nacional de México/ITCJ, Av. Tecnológico No. 1340, Ciudad Juárez, Chihuahua C.P. 32500, México

3. Instituto de Física “Manuel Sandoval Vallarta”, Universidad Autónoma de San Luis Potosí, Álvaro Obregón No. 64, San Luis Potosí, San Luis Potosí C.P. 78000, México

Funder

Tecnol?gico Nacional de M?xico

Consejo Nacional de Ciencia y Tecnolog?a

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c03192

Reference132 articles.

1. Ionic Liquids--Solvents of the Future?

2. Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis