Polarizable and nonpolarizable force fields for alkyl nitrates

Journal of Physical Chemistry B

Volumn 112, Issue 3, 2008, Pages 734-742

  Borodin, Oleg ^a,b   Smith, Grant D ^a,b   Sewell, Thomas D ^c   Bedrov, Dmitry ^a,b  

^a Wasatch Molecular Inc   (United States)

^b UNIVERSITY OF UTAH   (United States)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYLATION; ELECTRIC DIPOLE MOMENTS; PARAMETER ESTIMATION; POLARIZATION; QUANTUM CHEMISTRY;

NONPOLARIZABLE FORCE; NONPOLARIZABLE FORCE FIELDS;

NITRATES;

EID: 38949200927     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp076149f     Document Type: Article

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