Interaction of SO2 and SO3 on terthiophene (as a model of polythiophene gas sensor): DFT calculations

Chemical Physics Letters

Volumn 639, Issue , 2015, Pages 29-35

  Rad, Ali Shokuhi ^a   Valipour, Peiman ^a   Gholizade, Atefe ^a   Mousavinezhad, Seyed Ehsan ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; MOLECULAR ORBITALS; SULFUR DIOXIDE;

DFT CALCULATION; FRONTIER MOLECULAR ORBITALS; INTERACTION ENERGIES; OPTIMIZED CONFIGURATION; ORBITAL ENERGY; QUANTUM CHEMICAL ANALYSIS; SULFUR TRIOXIDE; TERTHIOPHENES;

DENSITY FUNCTIONAL THEORY;

EID: 84941710892     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2015.08.062     Document Type: Article

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