Interface of the Polarizable Continuum Model of Solvation with Semi-Empirical Methods in the GAMESS Program
Author:
Publisher
Public Library of Science (PLoS)
Subject
Multidisciplinary
Reference30 articles.
1. Polarizable continuum model;B Mennucci;Wiley Interdisciplinary Reviews: Computational Molecular Science,2012
2. Klamt A, Schüürmann G (1993) Cosmo: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J Chem Soc : 799–805.
3. Barone V, Cossi M (1998) Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model. J Phys Chem A 102: 1995– 2001.
4. Energies, structures, and electronic properties of molecules in solution with the c-pcm solvation model;M Cossi;J Comput Chem,2003
5. General atomic molecular electronic structure system;MW Schmidt;J Comput Chem,1993
Cited by 12 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 Practical Prediction of LogPo/w through Semiempirical Electronic Structure Calculations with Dielectric Continuum Model;Bulletin of the Chemical Society of Japan;2021-07-15
2. Exploring rhenium (I) complexes as potential fluorophores for walled-cells (yeasts and bacteria): Photophysics, biocompatibility, and confocal microscopy;Dyes and Pigments;2021-01
3. The role of substituted pyridine Schiff bases as ancillary ligands in the optical properties of a new series of fac-rhenium(i) tricarbonyl complexes: a theoretical view;RSC Advances;2021
4. Magnetic Resonance Diffusion Kurtosis Imaging versus Diffusion-Weighted Imaging in Evaluating the Pathological Grade of Hepatocellular Carcinoma;Cancer Management and Research;2020-06
Magnetic Resonance Diffusion Kurtosis Imaging versus Diffusion-Weighted Imaging in Evaluating the Pathological Grade of Hepatocellular Carcinoma
5. Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods;The Journal of Chemical Physics;2018-09-14
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