Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? I. Comparison of Lattice Energies
- Autor
- ISSA, Nizar1 ; KARAMERTZANIS, Panagiotis G2 ; WELCH, Gareth W. A1 ; PRICE, Sarah L1
[1] Department of Chemistry, University College London, 20 Gordon Street, London WC1H OAJ, United Kingdom
[2] Centre for Process Systems Engineering, Department of Chemical Engineering, Imperial College, London SW7 2AZ, United Kingdom - Fuente
Crystal growth & design. 2009, Vol 9, Num 1, pp 442-453, 12 p ; ref : 122 ref
- ISSN
- 1528-7483
- Campo Científico
- Crystallography
- Editor
- American Chemical Society, Washington,DC
- País de la publicación
- United States
- Tipo de documento
- Article
- Idioma
- English
- Palabra clave (fr)
- Acide succinique Angle torsion Anisotropie Base de données Caféine Calcul ab initio Cocristal Electrostatique Energie réticulaire Liaison hydrogène Polymorphisme Simulation ordinateur Structure cristalline 6150K 6166 6168
- Palabra clave (in)
- Succinic acid Twist angle Anisotropy Database Caffeine Ab initio calculations Cocrystal Electrostatics Lattice energy Hydrogen bonds Polymorphism Computerized simulation Crystal structure
- Palabra clave (es)
- Angulo torsión Base dato Cocristal
- Clasificación
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A50 Crystalline state (including molecular motions in solids) / 001B60A50K Crystallographic aspects of phase transformations; pressure effects
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A66 Structure of specific crystalline solids
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A68 Crystallographic databases
- Disciplina
- Physics of condensed state : structure, mechanical and thermal properties
- Procedencia
- Inist-CNRS
- Base de datos
- PASCAL
- Identificador INIST
- 21036664
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/cg800685z 
https://dx.doi.org/10.1021/cg800685z
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