Hydrogen bonding and molecular rearrangement in 1,3,5-triamino-2,4,6- trinitrobenzene under compression

Journal of Physical Chemistry B

Volumn 115, Issue 42, 2011, Pages 12085-12093

  Ojeda, Oscar U ^a   Çaǧn, Tahir ^a  

^a Department of Electrical and Computer Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DIMERS; ELECTRON ENERGY LOSS SPECTROSCOPY; HYDROGEN; HYDROGEN BONDS; MECHANICAL PROPERTIES; NANOCRYSTALLINE MATERIALS; QUANTUM CHEMISTRY; THERMODYNAMIC PROPERTIES;

AB INITIO; AB INITIO CALCULATIONS; AMINO GROUP; CONDENSED PHASE; CRYSTAL UNIT CELL; ELASTIC PROPERTIES; HYDROGEN BONDING INTERACTIONS; HYDROGEN BONDING NETWORK; HYDROSTATIC COMPRESSION; INVERSION CENTER; ISOLATED MOLECULES; LOCAL MINIMUMS; MOLECULAR ARRANGEMENTS; MOLECULAR REARRANGEMENT; SPECTROSCOPIC DATA; STABILIZATION ENERGY; STRUCTURAL BEHAVIORS; TRINITROBENZENE; VIBRATIONAL MODES;

CRYSTAL SYMMETRY;

EID: 80054935279     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2007649     Document Type: Article

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