The electronically excited states of RDX (hexahydro-1,3,5-trinitro-1,3,5- triazine): Vertical excitations

International Journal of Quantum Chemistry

Volumn 109, Issue 11, 2009, Pages 2348-2355

  Borges Jr , Itamar ^a   Aquino, Adélia J A ^b   Barbatti, Mario ^b   Lischka, Hans ^b  

^a MILITARY INSTITUTE OF ENGINEERING   (Brazil)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

Energetic materials; Excited states; Gas phase; Hexahydro 1,3,5 trinitro 1,3,5 triazine; RDX; RI CC2 wave function; TDDFT; UV spectrum

Indexed keywords

ENERGETIC MATERIALS; GAS-PHASE; HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE; RDX; RI-CC2 WAVE FUNCTION; TDDFT; UV SPECTRUM;

BAND STRUCTURE; CHARGE TRANSFER; ELECTRIC EXCITATION; EXCITED STATES; GASES; ION EXCHANGE; MASS TRANSFER; MULTICARRIER MODULATION; ULTRAVIOLET SPECTROSCOPY; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 67649804845     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22043     Document Type: Article

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