Anharmonic effects in ammonium nitrate and hydroxylammonium nitrate clusters

Journal of Physical Chemistry B

Volumn 111, Issue 18, 2007, Pages 4653-4658

  Kumarasiri, Malika ^a   Swalina, Chet ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DIMERS; HYDROGEN; IONIC LIQUIDS; MAGNETIC SHIELDING; MONOMERS; NITRATES; QUANTUM CHEMISTRY;

ACCURATE PREDICTION; ACID BASE; AMMONIUM NITRATE; ANHARMONIC EFFECT; ANHARMONICITIES; EXPERIMENTAL DATA; HYDROXYLAMMONIUM NITRATE; IONIC CLUSTERS; IONIC MATERIALS; MOLECULAR MECHANICALS; NEUTRAL SPECIES; NUCLEAR MAGNETIC SHIELDINGS; PARAMETRIZATIONS; PROTON TRANSFER REACTIONS; SECOND ORDERS; SHIELDING CONSTANTS; STABLE STRUCTURES; STRETCHING FREQUENCY; VIBRATIONAL PERTURBATION THEORY;

AMMONIUM COMPOUNDS;

AMMONIUM NITRATE; HYDROXYLAMINE; NITRATE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; VIBRATION;

HYDROXYLAMINE; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITRATES; QUANTUM THEORY; VIBRATION;

EID: 34447651354     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp065569m     Document Type: Article

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