A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure
Author:
Affiliation:
1. Dipartimento di Chimica; Università di Parma; Viale Parco Area delle Scienze 17/a Parma I-43100 Italy
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference67 articles.
1. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
2. Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix-inversion procedures and the renormalization of the apparent charges
3. A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
4. Molecular properties in solution described with a continuum solvation model
5. Quantum Mechanical Continuum Solvation Models
Cited by 55 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. An algorithm for very high pressure molecular dynamics simulations;Journal of Computational Chemistry;2024-08-29
2. Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models;Journal of Chemical Theory and Computation;2024-08-27
3. Atomic and electronic structures of Ni64Zr36 metallic glass under high pressure;New Journal of Physics;2024-07-01
4. An Analysis of Shear-Dependent Mechanochemical Reaction Kinetics;Tribology Letters;2024-06-12
5. Activation volume and quantum tunneling in the hydrogen transfer reaction between methyl radical and methane: A first computational study;The Journal of Chemical Physics;2024-03-11
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