A multilayered-representation, quantum mechanical/molecular mechanics study of the CH3Cl + F− reaction in aqueous solution: the reaction mechanism, solvent effects and potential of mean force-Reference-Cited by-同舟云学术

A multilayered-representation, quantum mechanical/molecular mechanics study of the CH3Cl + F− reaction in aqueous solution: the reaction mechanism, solvent effects and potential of mean force

Published:2014 Issue:16 Volume:16 Page:7611-7617
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Jingxue¹²³,Xu Yulong¹²³⁴⁵,Chen Jie¹²³,Wang Dunyou¹²³

Affiliation:

1. College of Physics and Electronics

2. Shandong Normal University

3. Jinan, 250014 China

4. School of Science

5. Qilu University of Technology

Abstract

A multi-layered representation, hybrid quantum mechanical and molecular mechanics method study of the CH₃Cl + F⁻ → CH₃F + Cl⁻ reaction in water.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C3CP55401E

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4. Gas-phase reactions of anions with halogenated methanes at 297 ± 2 K

5. Gas-phase measurements of the influence of stepwise solvation on the kinetics of SN2 reactions of solvated F− with CH3Cl and CH3Br and of solvated Cl− with CH3Br

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