Development of Embedded and Performance of Density Functional Methods for Molecular Crystals
Author:
Affiliation:
1. Institute of Chemistry, University of Graz, Heinrichstrasse 28/IV, 8010 Graz, Austria
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b12467
Reference46 articles.
1. Mechanical properties of molecular crystals—applications to crystal engineering
2. Organic Molecular Crystals
3. Optical Properties of Molecular Crystals
4. Modeling Polymorphic Molecular Crystals with Electronic Structure Theory
Cited by 24 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. Photoluminescent Cu(I) Assemblies with High‐Temperature Solid‐State Transitions as a New Class of Thermic History Tracers;Advanced Optical Materials;2024-06-10
2. Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP);CrystEngComm;2024
3. Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties;Journal of Chemical Theory and Computation;2023-12-18
4. Capturing Weak Interactions in Surface Adsorbate Systems at Coupled Cluster Accuracy: A Graph-Theoretic Molecular Fragmentation Approach Improved through Machine Learning;Journal of Chemical Theory and Computation;2023-11-29
5. Assessment of random phase approximation and second-order Møller–Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene;The Journal of Chemical Physics;2023-04-14
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