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
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference26 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. Theoretical chemistry in solution. Some results and perspectives of the continuum methods and in particular of the polarizable continuum model
3. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
4. Analytical derivatives for molecular solutes. I. Hartree–Fock energy first derivatives with respect to external parameters in the polarizable continuum model
5. Analytical derivatives for molecular solutes. II. Hartree–Fock energy first and second derivatives with respect to nuclear coordinates
Cited by 1271 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. Control of sulfur-containing hydrogen bonding interaction and novel thiol-type ESIPT behavior by different functional groups: A TD-DFT study;Journal of Molecular Structure;2024-05
2. Synthesis of Vis/NIR BOPYINs and their Dual-emission, AIE, and Viscosity Response Properties;Dyes and Pigments;2024-04
3. Ab initio kinetics of OH-initiated oxidation of naphthalene: A comprehensive revisited study;Atmospheric Environment;2024-04
4. Theoretical insights into excited state behaviors of D3HF derivatives via altering atomic electronegativity of chalcogen;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-02
5. Effects of hydroxychromone rings with chalcogen atoms on ESIPT for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one derivatives: A theoretical study;Chemical Physics Letters;2024-02
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