Experimental and DFT-D studies of the molecular organic energetic material RDX

Journal of Physical Chemistry C

Volumn 117, Issue 16, 2013, Pages 8062-8071

  Hunter, Steven ^a   Sutinen, Tuuli ^b   Parker, Stewart F ^c   Morrison, Carole A ^a   Williamson, David M ^b   Thompson, Stephen ^d   Gould, Peter J ^e   Pulham, Colin R ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^d RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^e QINETIQ   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; CYCLOTRIMETHYLENETRINITRAMINE; DISPERSION-CORRECTED DENSITY FUNCTIONAL; ENTHALPY OF FUSION; EXPERIMENTAL DATUM; EXPERIMENTAL DETERMINATION; PHONON CALCULATION; TRANSITION ENERGY;

DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; RAMAN SPECTROSCOPY;

PHONONS;

EID: 84876842583     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4004664     Document Type: Article

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