Force field development for organic molecules: Modifying dihedral and 1-npair interaction parameters-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Force field development for organic molecules: Modifying dihedral and 1-npair interaction parameters

Published:2014-12-08 Issue:6 Volume:36 Page:376-384
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Chen Siyan¹²,Yi Shasha¹³,Gao Wenmei¹³,Zuo Chuncheng²,Hu Zhonghan¹³

Affiliation:

1. State Key Laboratory of Supramolecular Structure and Materials, Jilin University; Changchun 130012 People's Republic of China

2. College of Mechanical Science and Engineering, Jilin University; Changchun 130022 People's Republic of China

3. Institute of Theoretical Chemistry, Jilin University; Changchun 130012 People's Republic of China

Funder

Science and Technology Planning Project of Jilin Province

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference61 articles.

1. Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model

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

3. Quantum Chemistry Based Force Field for Simulations of Poly(propylene oxide) and Its Oligomers

4. COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

5. Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes

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. Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set;Journal of Chemical Theory and Computation;2022-10-03

2. Simultaneous parametrization of torsional and third‐neighbor interaction terms in force‐field development: The LLS‐SC algorithm;Journal of Computational Chemistry;2022-02-08

3. QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics;Journal of Chemical Information and Modeling;2019-02-11

4. Asymmetric nucleophilic fluorination under hydrogen bonding phase-transfer catalysis;Science;2018-05-11

5. Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons;The Journal of Physical Chemistry B;2017-09-18

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3