Experimental and TD-DFT study of optical absorption of six explosive molecules: RDX, HMX, PETN, TNT, TATP, and HMTD

Journal of Physical Chemistry A

Volumn 117, Issue 29, 2013, Pages 6043-6051

  Cooper, Jason K ^a   Grant, Christian D ^b   Zhang, Jin Z ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY LEVEL DIAGRAMS; FLUORESCENCE-BASED DETECTION; OPTIMIZATION APPROACH; OSCILLATOR STRENGTHS; PENTAERYTHRITOL TETRANITRATE; TIME-DEPENDENT DENSITY FUNCTION THEORIES; TRIACETONE TRIPEROXIDE; UV-VIS ABSORPTION SPECTRA;

ELECTRONIC STRUCTURE; HMX; MOLECULES; OPTIMIZATION; ULTRAVIOLET SPECTROSCOPY;

OSCILLATORS (ELECTRONIC);

EID: 84880826216     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp312492v     Document Type: Article

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