Energetics of the isomers: 3- and 4-hydroxycoumarin

Journal of Chemical Thermodynamics

Volumn 42, Issue 11, 2010, Pages 1372-1378

  Sousa, Clara C S ^a   Morais, Victor M F ^a   Matos, M Agostinha R ^a  

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

Aromaticity; Density functional calculations; Enthalpy; Hydroxycoumarins; Thermochemistry

Indexed keywords

4-HYDROXYCOUMARIN; AROMATICITIES; BASIS SETS; CALVET MICROCALORIMETRY; COMBUSTION CALORIMETRY; COMPUTATIONAL STUDIES; COMPUTATIONAL TECHNIQUE; CONDENSED STATE; DENSITY-FUNCTIONAL CALCULATIONS; FUSION ENTHALPY; GASEOUS PHASE; HYBRID DENSITY FUNCTIONAL THEORY; HYBRID EXCHANGE; LEVEL DENSITY; MOLAR ENERGY; MOLAR ENTHALPY; NUCLEUS INDEPENDENT CHEMICAL SHIFTS; STANDARD MOLAR ENTHALPY;

AROMATIZATION; COMBUSTION; ENTHALPY; ISOMERS; OXYGEN; STANDARDS; THERMOCHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 77955419021     PISSN: 00219614     EISSN: 10963626     Source Type: Journal    
DOI: 10.1016/j.jct.2010.06.003     Document Type: Article

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