Insight into hydrazinium nitrates, azides, dicyanamide, and 5-azidotetrazolate ionic materials from simulations and experiments

Journal of Physical Chemistry B

Volumn 115, Issue 46, 2011, Pages 13578-13592

  Hooper, Justin B ^a   Borodin, Oleg ^a,b   Schneider, Stefan ^c  

^a Wasatch Molecular Inc   (United States)

^b U S ARMY RESEARCH LABORATORY   (United States)

^c AIR FORCE RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL LATTICES; CRYSTALLINE MATERIALS; CRYSTALS; EXPERIMENTS; LIQUIDS; MOLECULAR DYNAMICS; NITROGEN COMPOUNDS; QUANTUM CHEMISTRY;

ACCURATE PREDICTION; CONFORMATIONAL CHANGE; CRYSTALLINE STATE; CRYSTALLINE SYSTEMS; DICYANAMIDE; ELECTROSTATIC POTENTIALS; EXPERIMENTAL DATA; FORCE FIELDS; GASPHASE; HYDRAZINIUM; HYDRAZINIUM CATION; ION INTERACTIONS; ION PAIRS; IONIC CRYSTALS; IONIC MATERIALS; IONIC SYSTEMS; LIQUID STATE; LONE PAIR; MARGIN OF ERROR; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL COMPARISON; STRUCTURAL MOTIFS; VOLUME DEVIATIONS; X RAY DATA;

POSITIVE IONS;

EID: 81555209039     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2044064     Document Type: Article

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