2- and 3-acetylpyrroles: A combined calorimetric and computational study

Journal of Physical Chemistry A

Volumn 113, Issue 15, 2009, Pages 3630-3638

  Santos, Ana Filipa L O M ^a   Gomes, José R B ^b   Ribeiro Da Silva, Manuel A V ^a  

^a UNIVERSITY OF PORTO   (Portugal)

^b UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYL GROUPS; B3LYP CALCULATIONS; BOMB COMBUSTION CALORIMETRIES; COMPUTATIONAL STUDIES; ENTHALPIES OF FORMATIONS; GAS-PHASE; GAS-PHASE ACIDITIES; GASEOUS PHASE; H-BONDS; KNUDSEN EFFUSIONS; MASS LOSS; MOLAR ENTHALPIES; PYRIDINE RINGS; SUBSTITUENT EFFECTS; THEORETICAL RESULTS;

CALORIMETRY; CHEMICAL BONDS; COMBUSTION; IONIZATION OF GASES; NITROGEN COMPOUNDS; THERMOCHEMISTRY; THIOPHENE;

ENTHALPY;

2 ACETYLPYRROLE; 2-ACETYLPYRROLE; 3 ACETYLPYRROLE; 3-ACETYLPYRROLE; PYRROLE DERIVATIVE;

ARTICLE; CALORIMETRY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ENTROPY; ISOMERISM; STRUCTURE ACTIVITY RELATION; TEMPERATURE; VOLATILIZATION;

CALORIMETRY; COMPUTER SIMULATION; ENTROPY; ISOMERISM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PYRROLES; STRUCTURE-ACTIVITY RELATIONSHIP; TEMPERATURE; VOLATILIZATION;

EID: 64849104574     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810407m     Document Type: Article

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