Geometry optimization by direct inversion in the iterative subspace
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference15 articles.
1. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
2. Normal coordinate ab initio force relaxation
3. Computational experience with quadratically convergent minimisation methods
4. Rapid geometry optimization for semi-empirical molecular orbital methods
Cited by 545 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. The anion photoelectron spectrum and diabatization of tetrazolyl;The Journal of Chemical Physics;2024-06-06
2. Exploring the aqueous solubility and intermolecular interactions of diclofenac Diethylammonium: A molecular modeling study in solid state and solvation processes;Journal of Molecular Liquids;2024-05
3. Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods;The Journal of Chemical Physics;2024-04-16
4. Unraveling the potential of Al2CO bilayer as anode material in magnesium ion battery and unsuitability for lithium ion battery;Journal of Alloys and Compounds;2024-04
5. A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone;The Journal of Chemical Physics;2024-03-25
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