Dispersion Corrected Hartree–Fock and Density Functional Theory for Organic Crystal Structure Prediction
Author:
Publisher
Springer International Publishing
Link
http://link.springer.com/content/pdf/10.1007/128_2013_488
Reference91 articles.
1. Neumann MA, Leusen FJJ, Kendrick J (2008) A major advance in crystal structure prediction. Angew Chem Int Ed 47:2427–2430
2. Oganov AR (2010) Modern methods of crystal structure prediction. Wiley-VCH, Berlin
3. Oganov AR, Glass CW (2006) Crystal structure prediction using ab initio evolutionary techniques. Principles and applications. J Chem Phys 124:244–704
4. Sanderson K (2007) Model predicts structure of crystals. Nature 450:771–771
5. Woodley SM, Catlow R (2008) Crystal structure prediction from first principles. Nat Mater 7:937–964
Cited by 114 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. Current trends and advancements in crystallization and single-crystal structural analysis of small molecules;Coordination Chemistry Reviews;2024-10
2. A New Answer to an Old Puzzle: A Revisited Study of Tetrazino-Tetrazine 1,3,6,8-Tetraoxide (TTTO) Density Prediction;Crystal Growth & Design;2024-08-08
3. A New Model for Proposing Crystallization Mechanisms at the Molecular Level Based on Energetic and Topological Data of Supramolecular Interactions: An Application to Halogenated Anilines;Crystal Growth & Design;2024-05-13
4. Adsorption of Glycerol at Brønsted Sites in Mordenite: a Density Functional Theory Study;Journal of Structural Chemistry;2024-03
5. Structure Guided Design of VANOL-Imidodiphosphorimidate Catalysts for the Catalytic Enantioselective Bromospiroketalization Reaction;ACS Catalysis;2023-12-20
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