First principles calculation of the mechanical compression of two organic molecular crystals

Journal of Physical Chemistry A

Volumn 110, Issue 15, 2006, Pages 5173-5179

  Zerilli, Frank J ^a   Kuklja, Maija M ^b,c  

^a NAVAL SURFACE WARFARE CENTER   (United States)

^b UNIVERSITY OF NEVADA   (United States)

^c NATIONAL SCIENCE FOUNDATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST PRINCIPLES CALCULATION; HARTREE-FOCK APPROXIMATION; ORGANIC MOLECULAR CRYSTALS;

APPROXIMATION THEORY; COMPACTION; COMPUTER PROGRAM LISTINGS; ISOTHERMS; LATTICE CONSTANTS; ORGANIC COMPOUNDS;

MOLECULAR CRYSTALS;

EID: 33646392995     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0605754     Document Type: Article

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