Theoretical Background of the Fragment Molecular Orbital (FMO) Method and Its Implementation in GAMESS
Author:
Publisher
CRC Press
Link
http://www.crcnetbase.com/doi/pdf/10.1201/9781420078497-3
Reference74 articles.
1. Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method
2. Fragment molecular orbital method: an approximate computational method for large molecules
3. A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximation
4. Nonlinear optical properties of polydiacetylene with donor-acceptor substitution block
Cited by 14 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. (5S)-5-Benzylswainsonines as potent and selective inhibitors of Golgi α-mannosidase II: synthesis, enzyme evaluation and molecular modelling;Bioorganic Chemistry;2024-09
2. Comparative study of interaction energies between αIIbβ3 integrin and the peptidic, peptidomimetic and non-peptidic ligands by quantum mechanics FMO-PIEDA calculations;Chemical Papers;2023-06-10
3. 1,4-Dideoxy-1,4-imino-d- and l-lyxitol-based inhibitors bind to Golgi α-mannosidase II in different protonation forms;Organic & Biomolecular Chemistry;2022
4. Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions;The Journal of Physical Chemistry A;2021-06-30
5. QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals;The Journal of Physical Chemistry A;2021-03-05
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