Are Crystal Phase Diagrams Predictable with Force Fields? Case of Benzene Polymorphs
Author:
Affiliation:
1. CRS4, Parco Scientifico e Technologico, Sardegna Ricerca, Edificio 1, Loc. Piscina Mana, Pula, Italy 09010
Publisher
American Chemical Society (ACS)
Subject
Condensed Matter Physics,General Materials Science,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/cg500511p
Reference22 articles.
1. Are crystal structures predictable?
2. A test of crystal structure prediction of small organic molecules
3. Crystal structure prediction of small organic molecules: a second blind test
4. A third blind test of crystal structure prediction
5. Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test
Cited by 8 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. Artificial-intelligence-led revolution of construction materials: From molecules to Industry 4.0;Matter;2023-06
2. Erratum: “Equation of state for solid benzene valid for temperatures up to 470 K and pressures up to 1800 MPa” [J. Phys. Chem. Ref. Data 50, 043104 (2021)];Journal of Physical and Chemical Reference Data;2022-06-01
3. Equation of State for Solid Benzene Valid for Temperatures up to 470 K and Pressures up to 1800 MPa;Journal of Physical and Chemical Reference Data;2021-12-01
4. Phase-diagram prediction by data mining via temperature-dependent force fields;Acta Crystallographica Section A Foundations and Advances;2018-08-22
5. Empirical temperature-dependent intermolecular potentials determined by data mining from crystal data;Chemical Physics Letters;2018-05
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