Development of Semiempirical Models for Proton Transfer Reactions in Water-Reference-Cited by-同舟云学术

Development of Semiempirical Models for Proton Transfer Reactions in Water

Published:2014-07-16 Issue:8 Volume:10 Page:2881-2890
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wang Shihao¹,MacKay Laurent¹,Lamoureux Guillaume¹

Affiliation:

1. Department of Chemistry and Biochemistry and Centre for Research in Molecular Modeling (CERMM) and ‡Department of Physics, Concordia University, Montréal, Canada

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500164h

Reference79 articles.

1. Proton Transfer 200 Years after von Grotthuss: Insights from Ab Initio Simulations

2. Modeling and Simulation of Ion Channels

3. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

Cited by 9 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Developing semi-empirical water model for efficiently simulating temperature-dependent chemisorption of CO₂ in amine solvents;Physical Chemistry Chemical Physics;2024

2. Spontaneous Oxidation of Thiols and Thioether at the Air–Water Interface of a Sea Spray Microdroplet;Journal of the American Chemical Society;2023-05-03

3. Nonmetallic Active Sites on Nickel Phosphide in Oxygen Evolution Reaction;Nanomaterials;2022-03-29

4. Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence‐Bond Modeling;ChemPhysChem;2019-02-27

5. RM1 Semiempirical Model: Chemistry, Pharmaceutical Research, Molecular Biology and Materials Science;Journal of the Brazilian Chemical Society;2018