Predicting organic crystal lattice energies with chemical accuracy

Journal of Physical Chemistry Letters

Volumn 1, Issue 24, 2010, Pages 3480-3487

  Beran, Gregory J O ^a   Nanda, Kaushik ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS-SET LIMITS; CCSD CALCULATIONS; COMPUTING POWER; DISPERSION INTERACTION; FORMAMIDES; LATTICE ENERGIES; LATTICE PARAMETERS; MANY-BODY; MANY-BODY INTERACTIONS; MP2 CALCULATIONS; ORGANIC CRYSTAL; POLARIZABLE FORCE FIELD; SMALL MOLECULES; UNIT CELLS;

AMIDES; BENZENE; CRYSTAL LATTICES; MOLECULES;

CRYSTALS;

EID: 78650338790     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz101383z     Document Type: Article

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