Getting the Most out of ONIOM: Guidelines and Pitfalls
Author:
Publisher
Wiley-VCH Verlag GmbH & Co. KGaA
Reference23 articles.
1. Theoretical studies of enzymatic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme;Warshel;J. Mol. Biol.,1976
2. A combined ab initio quantum-mechanical and molecular mechanical method for carrying out simulations on complex molecular-systems - applications to the CH3Cl+Cl− exchange-reaction and gas-phase protonation of polyethers;Singh;J. Comput. Chem.,1986
3. A combined quantum-mechanical and molecular mechanical potential for molecular-dynamics simulations;Field;J. Comput. Chem.,1990
4. Hybrid models for combined quantum mechanical and molecular mechanical approaches;Bakowies;J. Phys. Chem.,1996
5. Evaluation of an ab initio quantum mechanical/molecular mechanical hybrid-potential link-atom method;Amara;Theor. Chem. Acc.,2003
Cited by 29 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. Complexities of the Interaction of NiII, PdII and PtII Pyrrole‐Imine Chelates with Human Serum Albumin**;ChemistryEurope;2023-06-07
2. Quantitative Raman microscopy to describe structural organisation in hollow microcrystals built from silicon catecholate and amines;Dalton Transactions;2023
3. Spectroscopic and computational study of the interaction of Pt(ii) pyrrole-imine chelates with human serum albumin;Dalton Transactions;2023
4. Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation;International Journal of Molecular Sciences;2022-12-09
5. Cellulose Fast Pyrolysis Activated by Intramolecular Hydrogen Bonds;The Journal of Physical Chemistry A;2022-10-20
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