Systematic preparation method of a molecular model explicitly describing electron distributions for halogen bonds-Reference-Cited by-同舟云学术

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Systematic preparation method of a molecular model explicitly describing electron distributions for halogen bonds

Published:2022-09 Issue: Volume:802 Page:139754
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Hayakawa Daichi,Terauchi Nanako,Iwasaki Aika,Watanabe Yurie,Gouda Hiroaki

Funder

Japan Society for the Promotion of Science

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference45 articles.

1. Computer simulation of liquids;Allen,1987

2. H.-D. Höltje, W. Sippl, D. Rognan, G. Folkers, Molecular modeling: Basic principles and applications, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008.

3. All-atom empirical potential for molecular modeling and dynamics studies of proteins;MacKerell;J. Phys. Chem. B,1998

4. Molecular polarizabilities calculated with a modified dipole interaction;Thole;Chem. Phys.,1981

5. Polarizable atomic multipole water model for molecular mechanics simulation;Ren;J. Phys. Chem. B,2003

Cited by 2 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. Molecular Interaction Fields Describing Halogen Bond Formable Areas on Protein Surfaces;Journal of Chemical Information and Modeling;2024-07-16

2. Valence Bond Description of Halogen Bonding;Comprehensive Computational Chemistry;2024

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