Accurate and Efficient Quantum Chemistry Calculations for Noncovalent Interactions in Many-Body Systems: The XSAPT Family of Methods
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States
Funder
Camille and Henry Dreyfus Foundation
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp5098603
Reference163 articles.
1. Base-stacking and base-pairing contributions into thermal stability of the DNA double helix
2. Computational evaluation of protein–small molecule binding
3. Atomistic Models for Free Energy Evaluation of Drug Binding to Membrane Proteins
4. Crystal structure prediction from first principles
Cited by 88 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. Local Second Order Mo̷ller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation;Journal of Chemical Theory and Computation;2024-09-02
2. Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes;The Journal of Chemical Physics;2024-08-06
3. Interactions of coinage metal nanoclusters with low-molecular-weight biocompounds;Biophysical Reviews;2024-06-07
4. Improving second-order Møller–Plesset perturbation theory for noncovalent interactions with the machine learning-corrected ab initio dispersion potential;The Journal of Chemical Physics;2024-05-09
5. Ab initio dispersion potentials based on physics-based functional forms with machine learning;The Journal of Chemical Physics;2024-05-08
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