Variable Charge Reactive Potential for Hydrocarbons to Simulate Organic-Copper Interactions
Author:
Affiliation:
1. Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611, United States
2. U.S. Army Engineer Research and Development Center, Vicksburg, Mississippi 39180, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp212083t
Reference88 articles.
1. On the determination of molecular fields.—I. From the variation of the viscosity of a gas with temperature
2. On the determination of molecular fields. —II. From the equation of state of a gas
3. Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals
4. Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
5. The classical equation of state of gaseous helium, neon and argon
Cited by 91 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. A unified moment tensor potential for silicon, oxygen, and silica;npj Computational Materials;2024-09-13
2. Calculations for preemptive surface adsorbate drive-off to minimize plasma formation during operation of high-power microwave sources;Journal of Applied Physics;2024-07-22
3. Structure of diclofenac in an aqueous medium and its adsorption onto carbons: Molecular insights through simulation;Colloids and Surfaces A: Physicochemical and Engineering Aspects;2024-04
4. Uniaxial tensile study of calcium aluminosilicate hydrate (C-A-S-H): Structure, dynamics and mechanical properties;Materials Today Communications;2024-03
5. Determining the mechanical and decomposition properties of high energetic materials (α-RDX, β-HMX, and ε-CL-20) using a neural network potential;Physical Chemistry Chemical Physics;2024
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