Rare Events Sampling Methods for Quantum and Classical Ab Initio Molecular Dynamics-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Rare Events Sampling Methods for Quantum and Classical Ab Initio Molecular Dynamics

Published:2024-07-01 Issue:27 Volume:128 Page:5386-5397
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Iyengar Srinivasan S.¹^ORCID,Schlegel H. Bernhard²^ORCID,Sumner Isaiah³^ORCID,Li Junjie⁴

Affiliation:

1. Department of Chemistry, Department of Physics, and the Indiana University Quantum Science and Engineering Center (IU-QSEC), Indiana University, 800 E. Kirkwood Avenue, Bloomington 47405, Indiana, United States

2. Department of Chemistry, Wayne State University, Detroit 48202, Michigan, United States

3. Department of Chemistry and Biochemistry, James Madison University, Harrisonburg 22807, Virginia, United States

4. Texas Advanced Computing Center, The University of Texas at Austin, Austin 78758, Texas, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c07385

Reference100 articles.

1. Dyanmics of organic reactions

2. Classical trajectories using the full ab initio potential energy surface H−+CH4→CH4+H−

3. Unified Approach for Molecular Dynamics and Density-Functional Theory

4. Integration of the classical equations of motion on ab initio molecular potential energy surfaces using gradients and Hessians: application to translational energy release upon fragmentation

5. Ab initio classical trajectory study of H2CO→H2+CO dissociation

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