Ab initio molecular orbital study of dinitrobenzene radical anions

Chemical Physics Letters

Volumn 494, Issue 4-6, 2010, Pages 139-143

  Kayanuma, Megumi ^a   Hosoi, Haruko ^a   Furuya, Akiko ^a   Masuda, Yuichi ^a   Takano, Keiko ^a  

^a OCHANOMIZU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BASIS SETS; CAS-SCF; CCSD; INTRA-MOLECULAR ELECTRON TRANSFER; INTRINSIC PROPERTY; ISOLATED SPECIES; LOCALIZED STRUCTURES; MOLECULAR ORBITAL STUDIES; RADICAL ANIONS; SINGLE-POINT ENERGY; THEORETICAL STUDY;

MOLECULAR ORBITALS; NEGATIVE IONS;

FREE RADICAL REACTIONS;

EID: 77955310066     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.05.082     Document Type: Article

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