Molecular Polarization Effects on the Relative Energies of the Real and Putative Crystal Structures of Valine-Reference-Cited by-同舟云学术

Molecular Polarization Effects on the Relative Energies of the Real and Putative Crystal Structures of Valine

Published:2008-09-11 Issue:10 Volume:4 Page:1795-1805
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cooper Timothy G.¹,Hejczyk Katarzyna E.¹,Jones William¹,Day Graeme M.¹

Affiliation:

1. The Pfizer Institute for Pharmaceutical Materials Science, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800195g

Reference47 articles.

1. Dealing with the Impact of Ritonavir Polymorphs on the Late Stages of Bulk Drug Process Development

2. High-throughput crystallization: polymorphs, salts, co-crystals and solvates of pharmaceutical solids

3. A third blind test of crystal structure prediction

4. An Assessment of Lattice Energy Minimization for the Prediction of Molecular Organic Crystal Structures

5. Beyond the Isotropic Atom Model in Crystal Structure Prediction of Rigid Molecules: Atomic Multipoles versus Point Charges

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