Challenges of crystal structure prediction of diastereomeric salt pairs

Journal of Physical Chemistry B

Volumn 109, Issue 36, 2005, Pages 17134-17150

  Karamertzanis, Panagiotis G ^a   Price, Sarah L ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ASYMMETRIC UNITS; EMPIRICAL FORCE; LATTICE ENERGY; MATHEMATICAL COMPLEXITY;

ALGORITHMS; COMPUTATIONAL METHODS; CONFORMATIONS; CRYSTAL LATTICES; MATHEMATICAL MODELS; SENSITIVITY ANALYSIS; STATISTICAL METHODS;

CRYSTAL STRUCTURE;

INORGANIC SALT;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CRYSTALLIZATION; STEREOISOMERISM;

ALGORITHMS; CRYSTALLIZATION; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SALTS; STEREOISOMERISM;

EID: 25444445616     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052465n     Document Type: Article

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