Quantum-classical molecular dynamics and its computer implementation
Author:
Publisher
Elsevier BV
Subject
General Chemical Engineering,Applied Microbiology and Biotechnology,Biotechnology
Reference20 articles.
1. Validity of time‐dependent self‐consistent‐field (TDSCF) approximations for unimolecular dynamics: A test for photodissociation of the Xe–HI cluster
2. Bała P., Grochowski P., Lesyng B. & McCammon J.A. (1994a) (in preparation).
3. Applications of quantum-classical and quantum-stochastic molecular dynamics simulations for proton transfer processes
4. Extended Hellmann-Feynman theorem for non-stationary states and its application in quantum-classical molecular dynamics simulations
5. The Role of Computational Models and Theories in Biotechnology;Bała,1992
Cited by 7 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. Quantum-Dynamical Picture of a Multistep Enzymatic Process: Reaction Catalyzed by Phospholipase A2;Biophysical Journal;2000-09
2. Computer Simulation of Proton Transfers of Small Acids in Water;The Journal of Physical Chemistry A;2000-04-01
3. OOMPAA—Object-Oriented Model for Probing Assemblages of Atoms;Journal of Computational Physics;1999-05
4. Quantum dynamics of proton transfer processes in enzymatic reactions. Simulations of phospholipase A2;Berichte der Bunsengesellschaft für physikalische Chemie;1998-03
5. Advanced calculations and visualization of enzymatic reactions with the combined quantum classical molecular dynamics code;Lecture Notes in Computer Science;1998
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