Atomistic calculations of phonon frequencies and thermodynamic quantities for crystals of rigid organic molecules

Journal of Physical Chemistry B

Volumn 107, Issue 39, 2003, Pages 10919-10933

  Day, Graeme M ^a,c   Price, Sarah L ^a   Leslie, Maurice ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b DARESBURY LABORATORY   (United Kingdom)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; CRYSTAL ATOMIC STRUCTURE; ELECTROSTATICS; HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NAPHTHALENE; THERMODYNAMIC PROPERTIES; VAN DER WAALS FORCES;

ATOMISTIC CALCULATIONS; PHONON FREQUENCIES; RIGID ORGANIC MOLECULES;

PHONONS;

EID: 0142071838     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp035125f     Document Type: Article

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