Vibrational corrections to geometries of transition metal complexes from density functional theory
Author:
Funder
Deutsche Froschungsgemeinschaft
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference38 articles.
1. The prediction of molecular equilibrium structures by the standard electronic wave functions
2. Geometries of Transition-Metal Complexes from Density-Functional Theory
3. Effect of vibration and rotation on the internuclear distance
4. An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules
Cited by 28 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. Structural Isomerism and Enhanced Lipophilicity of Pyrithione Ligands of Organoruthenium(II) Complexes Increase Inhibition on AChE and BuChE;International Journal of Molecular Sciences;2020-08-06
2. Application of Semiempirical Methods to Transition Metal Complexes: Fast Results but Hard-to-Predict Accuracy;Journal of Chemical Theory and Computation;2018-05-22
3. Diving for Accurate Structures in the Ocean of Molecular Systems with the Help of Spectroscopy and Quantum Chemistry;Accounts of Chemical Research;2018-02-05
4. Speciation in human blood of Metvan, a vanadium based potential anti-tumor drug;Dalton Transactions;2017
5. Interaction of Ruthenium(II) with Terminal Alkynes: Benchmarking DFT Methods with Spectroscopic Data;Organometallics;2016-03-22
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