Computational studies on the mechanisms for the gas-phase reaction between thiophene and NO3

Chemical Physics Letters

Volumn 467, Issue 1-3, 2008, Pages 52-57

  Zhang, Weichao ^a   Wang, Tao ^b   Feng, Changjun ^c   Du, Benni ^a   Mu, Lailong ^a  

^a JIANGSU NORMAL UNIVERSITY   (China)

^b Shanghai Supercomputer Center   (China)

^c XUZHOU INSTITUTE OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; PHASE INTERFACES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE REACTIONS; UNMANNED AERIAL VEHICLES (UAV);

COMPUTATIONAL STUDIES; DOUBLE BONDS; G3MP2B3 CALCULATIONS; HYDROGEN ABSTRACTIONS; PHASE REACTIONS; THIOPHENE RINGS;

THIOPHENE;

EID: 57149085242     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.11.019     Document Type: Article

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