Systematic evaluation and refinement of existing all‐atom force fields for the simulation of liquid acetonitrile-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Systematic evaluation and refinement of existing all‐atom force fields for the simulation of liquid acetonitrile

Published:2018-05-03 Issue:23 Volume:39 Page:1843-1853
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Kowsari Mohammad H.¹²^ORCID,Tohidifar Leila¹

Affiliation:

1. Department of ChemistryInstitute for Advanced Studies in Basic Sciences (IASBS)Zanjan45137‐66731 Iran

2. Center for Research in Climate Change and Global Warming (CRCC), Institute for Advanced Studies in Basic Sciences (IASBS)Zanjan45137‐66731 Iran

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25337

Reference69 articles.

1. The diffusion behavior and capacitance of tetraethylammonium/tetrafluoroborate ions in acetonitrile with different molar concentrations: a molecular dynamics study

2. The Importance of Acetonitrile in the Pharmaceutical Industry and Opportunities for its Recovery from Waste

3. Tracing Dynamics, Self-Diffusion, and Nanoscale Structural Heterogeneity of Pure and Binary Mixtures of Ionic Liquid 1-Hexyl-2,3-dimethylimidazolium Bis(fluorosulfonyl)imide with Acetonitrile: Insights from Molecular Dynamics Simulations

4. Association of ionic liquids in solution: a combined dielectric and conductivity study of [bmim][Cl] in water and in acetonitrile

5. Structure and Dynamics of 1-N-Alkyl-3-N-Methylimidazolium Tetrafluoroborate + Acetonitrile Mixtures

Cited by 14 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. Electric Double Layer Effect on the Outer-Sphere Benzyl Halides Electro-Reduction Mechanism;The Journal of Physical Chemistry C;2024-05-30

2. Probing Isolated Water Molecules in Aqueous Acetonitrile Solutions Using Oxygen K-Edge X-ray Absorption Spectroscopy;The Journal of Physical Chemistry Letters;2024-05-07

3. The Effect of Electric Fields on the Structure of Water/Acetonitrile Mixtures;Journal of The Electrochemical Society;2023-08-01

4. Modeling molecular ensembles with gradient-domain machine learning force fields;Digital Discovery;2023

5. Polarizable Force Field for Acetonitrile Based on the Single-Center Multipole Expansion;The Journal of Physical Chemistry B;2022-11-07

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