Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes

Published:2010-06-03 Issue:12 Volume:1 Page:1866-1874
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Bowman J. M.¹,Braams B. J.¹,Carter S.¹²,Chen C.¹,Czakó G.¹,Fu B.¹,Huang X.³,Kamarchik E.¹⁴,Sharma A. R.¹,Shepler B. C.¹,Wang Y.¹,Xie Z.⁵

Affiliation:

1. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322

2. Department of Chemistry, University of Reading, RG6 2AD England

3. SETI Institute, 515 North Whisman Road, Mountain View, California 94043

4. Department of Chemistry, University of Southern California, Los Angeles, California 90089

5. Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois 60439

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz100626h

Reference49 articles.

1. The analytical representation of electronic potential-energy surfaces

2. CONSTRUCTING MULTIDIMENSIONAL MOLECULAR POTENTIAL ENERGY SURFACES FROM AB INITIO DATA

3. Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water

4. Towards the complete understanding of water by a first-principles computational approach

Cited by 98 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. After 50 Years of Vibrational Circular Dichroism Spectroscopy: Challenges and Opportunities of Increasingly Accurate and Complex Experiments and Computations;The Journal of Physical Chemistry Letters;2024-08-21

2. Combining state-of-the-art quantum chemistry and machine learning make gold standard potential energy surfaces accessible for medium-sized molecules;Artificial Intelligence Chemistry;2024-06

3. Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials;The Journal of Chemical Physics;2024-05-01

4. SPA^HM(a,b): Encoding the Density Information from Guess Hamiltonian in Quantum Machine Learning Representations;Journal of Chemical Theory and Computation;2024-01-16

5. Exploring torsional conformer space with physical prior mean function-driven meta-Gaussian processes;The Journal of Chemical Physics;2023-12-05

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