Reactivity of azole anions with CO2 from the DFT perspective

ChemSusChem

Volumn 6, Issue 6, 2013, Pages 1050-1056

  Tang, Huarong ^a   Wu, Chao ^a  

^a XI'AN JIAOTONG UNIVERSITY   (China)

Author keywords

absorption; azoles; carbon dioxide capture; density functional calculations; Langmuir model

Indexed keywords

ABSORPTION ISOTHERMS; AZOLES; CARBON DIOXIDE CAPTURE; DENSITY FUNCTIONAL THEORIES (DFT); LANGMUIR ADSORPTION MODEL; LANGMUIR MODELS; LANGMUIR-TYPE ADSORPTION; NATURAL BOND ORBITAL;

ABSORPTION; ADSORPTION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ENTHALPY; IONIC LIQUIDS; NEGATIVE IONS; NITROGEN; SULFUR DIOXIDE;

CARBON DIOXIDE;

CARBON DIOXIDE; PYRROLE DERIVATIVE;

ABSORPTION; ADSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; QUANTUM THEORY;

ABSORPTION; ADSORPTION; AZOLES; CARBON DIOXIDE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY;

EID: 84878562137     PISSN: 18645631     EISSN: 1864564X     Source Type: Journal    
DOI: 10.1002/cssc.201200986     Document Type: Article

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