Computational Crystal Structure Prediction: Towards In Silico Solid Form Screening

Organic Crystal Engineering: Frontiers in Crystal Engineering

Volumn , Issue , 2010, Pages 43-66

  Day, Graeme M ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

'lattice energy minimization' approach to crystal structure prediction; Computational crystal structure prediction in silico solid form screening; Current capabilities of crystal structure prediction; High throughput screening of crystallization conditions; Hydrogen bond chain based polymorphs of carbamazepine; Polymorphism and small molecular changes on packing; Prediction of crystal structures; Solvate and co crystal formation; Tool for understanding and predicting crystal structures of organic molecules

Indexed keywords

EID: 84886223814     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9780470681794.ch2     Document Type: Chapter

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