Quantum Chemical Study of the Thermochemical Properties of Organophosphorous Compounds

Journal of Physical Chemistry A

Volumn 119, Issue 42, 2015, Pages 10527-10539

  Khalfa, A ^a   Ferrari, M ^a   Fournet, R ^a   Sirjean, B ^a   Verdier, L ^b   Glaude, P A ^a  

^a UNIVERSITÉ DE LORRAINE   (France)

^b Delegation Generale pour l'Armement   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL WARFARE; MOLECULES; PESTICIDES; QUANTUM CHEMISTRY; THERMOCHEMISTRY; THERMODYNAMIC STABILITY;

ENTHALPIES OF FORMATION; EXPERIMENTAL DETERMINATION; GROUP CONTRIBUTION METHOD; ORGANOPHOSPHOROUS COMPOUNDS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL STUDIES; THERMOCHEMICAL DATA; THERMOCHEMICAL PROPERTIES;

CHEMICAL COMPOUNDS;

ORGANOPHOSPHORUS COMPOUND;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ENTROPY; HEAT; QUANTUM THEORY;

ENTROPY; HOT TEMPERATURE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; ORGANOPHOSPHORUS COMPOUNDS; QUANTUM THEORY;

EID: 84945278557     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b07071     Document Type: Article

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