Application of a Computational Systematic Search Strategy to Study Polymorphism in Phenazine and Perylene
- 25 August 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 103 (37) , 7762-7770
- https://doi.org/10.1021/jp984419b
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- The Genetic Algorithm: Foundations and Apllications in Structure Solution from Powder Diffraction DataActa Crystallographica Section A Foundations of Crystallography, 1998
- Crystal chemistry and solvent effects in polymorphic systems SulfathiazoleJournal of the Chemical Society, Faraday Transactions, 1998
- Routine determination of molecular crystal structures from powder diffraction dataChemical Communications, 1998
- Computationally Assisted Structure Determination for Molecular Materials from X-ray Powder Diffraction DataThe Journal of Physical Chemistry B, 1997
- Molecular Self-Assemblies. 3. Quantitative Predictions for the Packing Geometry of Perylenedicarboximide Translation Aggregates and the Effects of Flexible End Groups. Implications for Monolayers and Three-Dimensional Crystal Structure PredictionsChemistry of Materials, 1994
- Generation of possible crystal structures from molecular structure for low-polarity organic compoundsJournal of the American Chemical Society, 1991
- Structure of phenazineActa Crystallographica Section C Crystal Structure Communications, 1991
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acidsThe Journal of Physical Chemistry, 1983
- The crystal and molecular structures of heterocyclic compounds. I. The analysis of the crystal structure of α-phenazineActa Crystallographica, 1955