Assessing the performance of ab initio classical valence bond methods for hydrogen transfer reactions-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Assessing the performance of ab initio classical valence bond methods for hydrogen transfer reactions

Published:2017-09 Issue: Volume:1116 Page:234-241
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Karach Itay,Botvinik Alina,Truhlar Donald G.,Wu Wei,Shurki Avital^ORCID

Funder

Israel Science Foundation

Alex Grass Center for Drug Design and Synthesis of Novel Therapeutics

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference77 articles.

1. Wechselwirkung neutraler Aton un homoopolare Bindung nach der Quantenmechanik;Heitler;Z. Phys.,1927

2. On the Quantum Theory of home polar valence-bond;London;Z. Phys.,1928

3. The self-consistent field equations for generalized valence bond and open-shell Hartree-Fock wave functions;Bobrowicz,1977

4. Self-consistent procedures of generalized valence bond wave functions;Hunt;J. Chem. Phys.,1972

5. The description of chemical bonding from ab-initio calculation;Goddard;Annu. Rev. Phys. Chem.,1978

Cited by 5 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. Hybrid Density Functional Valence Bond Method with Multistate Treatment;Journal of Chemical Theory and Computation;2024-01-27

2. λ-DFVB(U): A hybrid density functional valence bond method based on unpaired electron density;The Journal of Chemical Physics;2022-05-28

3. The Breathing-Orbital Valence Bond Method: A VB Method That Includes Dynamic Electron Correlation;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2022

4. Valence Bond Theory—Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects;Molecules;2021-03-15

5. Performance of the VBSCF method for pericyclic and π bond shift reactions;Journal of Computational Chemistry;2018-12-27

同舟云学术

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