Predictability of the polymorphs of small organic compounds: Crystal structure predictions of four benchmark blind test molecules
Published 2011 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Predictability of the polymorphs of small organic compounds: Crystal structure predictions of four benchmark blind test molecules
Authors
Keywords
-
Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 13, Issue 45, Pages 20361
Publisher
Royal Society of Chemistry (RSC)
Online
2011-10-13
DOI
10.1039/c1cp22169h
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable?
- (2011) H. C. Stephen Chan et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Progress in Crystal Structure Prediction
- (2011) John Kendrick et al. CHEMISTRY-A EUROPEAN JOURNAL
- ON THE ROAD TO CORE STANDARDS
- (2010) CELIA HENRY ARNAUD CHEMICAL & ENGINEERING NEWS
- Crystal Structure Prediction and Isostructurality of Three Small Molecules
- (2010) Aldi Asmadi et al. CHEMISTRY-A EUROPEAN JOURNAL
- Validation of dispersion-corrected density functional theory calculations for the crystal structure prediction of molecular salts: a crystal structure prediction study of pyridinium chloride
- (2010) Jacco van de Streek et al. CRYSTENGCOMM
- Polymorphism - Still Unpredictable?
- (2010) ORGANIC PROCESS RESEARCH & DEVELOPMENT
- Crystal structure prediction and isostructurality of three small organic halogen compounds
- (2010) Aldi Asmadi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test
- (2009) Graeme M. Day et al. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
- Unmasking a Third Polymorph of a Benchmark Crystal-Structure-Prediction Compound
- (2009) Saikat Roy et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Predicting spontaneous racemate resolution using recent developments in crystal structure prediction
- (2009) John Kendrick et al. CRYSTENGCOMM
- Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
- (2009) Marcus Aurelius Neumann et al. CRYSTENGCOMM
- Revisiting the Blind Tests in Crystal Structure Prediction: Accurate Energy Ranking of Molecular Crystals
- (2009) Aldi Asmadi et al. JOURNAL OF PHYSICAL CHEMISTRY B
- A Major Advance in Crystal Structure Prediction
- (2008) Marcus A. Neumann et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs
- (2008) Panagiotis G. Karamertzanis et al. JOURNAL OF CHEMICAL PHYSICS
- Tailor-Made Force Fields for Crystal-Structure Prediction
- (2008) Marcus A. Neumann JOURNAL OF PHYSICAL CHEMISTRY B
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now