Molecular energetics of pyrrolecarbonitriles and derivatives: A combined calorimetric and computational study

Journal of Chemical Thermodynamics

Volumn 48, Issue , 2012, Pages 194-200

  Santos, Ana Filipa L O M ^a   Ribeiro Da Silva, Manuel A V ^a  

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

1,5 Dimethyl 2 pyrrolecarbonitrile; 1,5 Dimethyl 3 pyrrolecarbonitrile; 2 Pyrrolecarbonitrile; 3 Pyrrolecarbonitrile; Combustion calorimetry; Enthalpy of combustion; Enthalpy of formation; Enthalpy of sublimation; Enthalpy of vaporization; G3(MP2) B3LYP calculations; High temperature Calvet microcalorimetry

Indexed keywords

1,5-DIMETHYL-2-PYRROLECARBONITRILE; 1,5-DIMETHYL-3- PYRROLECARBONITRILE; 2-PYRROLECARBONITRILE; 3-PYRROLECARBONITRILE; COMBUSTION CALORIMETRY; ENTHALPY OF COMBUSTION; ENTHALPY OF FORMATION; ENTHALPY OF SUBLIMATION; ENTHALPY OF VAPORIZATION; HIGH TEMPERATURE;

CALCULATIONS; CALORIMETERS; CALORIMETRY; COMBUSTION; ORBITAL CALCULATIONS; PHASE TRANSITIONS; QUANTUM CHEMISTRY; STANDARDS;

ENTHALPY;

EID: 84857038987     PISSN: 00219614     EISSN: 10963626     Source Type: Journal    
DOI: 10.1016/j.jct.2011.12.019     Document Type: Article

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