Prediction of crystal structures

被引：0
作者：
机构：
来源：
J Chem Soc Dalton Trans | / 10卷 / 2077期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
[41]   Prediction of stoichiometric PoHn compounds: crystal structures and properties [J].
Liu, Yunxian ;
Duan, Defang ;
Tian, Fubo ;
Wang, Chao ;
Wu, Gang ;
Ma, Yanbin ;
Yu, Hongyu ;
Li, Da ;
Liu, Bingbing ;
Cui, Tian .
RSC ADVANCES, 2015, 5 (125) :103445-103450
[42]   Prediction of exotic ion-crystal structures in a Paul trap [J].
Ursekar, Varun ;
Silvester, Joseph M. ;
Nam, Yun Seong ;
Blumel, Reinhold .
EUROPEAN PHYSICAL JOURNAL D, 2018, 72 (09)
[43]   Prediction of crystal structures using evolutionary algorithms and related techniques [J].
Woodley, SM .
APPLICATIONS OF EVOLUTIONARY COMPUTATION IN CHEMISTRY, 2004, 110 :95-132
[44]   Development of polarizable force field for the prediction of molecular crystal structures [J].
Nakayama, Naofumi ;
Obata, Shigeaki ;
Ohta, Kazuo ;
Goto, Hitoshi .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :C207-C207
[45]   A computational strategy in consideration of the crystal surface structures for the crystal morphology prediction of energetic material [J].
She, Chongchong ;
Chen, Kun ;
Jin, Shaohua ;
Li, Lijie ;
Chen, Shusen ;
Liu, Huanmin ;
Liu, Wei ;
Bao, Fang .
CHEMICAL PHYSICS LETTERS, 2020, 761 (761)
[46]   Prediction of crystal structures of two monosaccharides by potential energy minimisation [J].
Smrcok, L ;
Durík, M ;
Tunega, D .
ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2000, 215 (04) :254-259
[47]   Synthesis, Crystal Structures, and in Silico Toxicity Prediction of Thienopyridine Phosphoramidates [J].
Pedrosa, Leandro F. ;
de Macedo, William P. ;
Furtado, Antonia C. R. ;
Guedes, Guilherme P. ;
Pinheiro, Luiz C. S. ;
Resende, Jackson A. L. C. ;
Vaz, Maria G. F. ;
Bernardino, Alice M. R. ;
de Souza, Marcos C. .
SYNTHETIC COMMUNICATIONS, 2013, 43 (24) :3373-3386
[48]   Structures and Properties Prediction of HMX/TATB Co-Crystal [J].
Wei, Chunxue ;
Huang, Hui ;
Duan, Xiaohui ;
Pei, Chonghua .
PROPELLANTS EXPLOSIVES PYROTECHNICS, 2011, 36 (05) :416-423
[49]   Prediction of exotic ion-crystal structures in a Paul trap [J].
Varun Ursekar ;
Joseph M. Silvester ;
Yun Seong Nam ;
Reinhold Blümel .
The European Physical Journal D, 2018, 72
[50]   From crystal structures and their analysis to the in silico prediction of toxic phenomena [J].
Dobler, M ;
Lill, MA ;
Vedani, A .
HELVETICA CHIMICA ACTA, 2003, 86 (05) :1554-1568
12345