An ab initio molecular orbital study of quinones of pentalene

Journal of Molecular Structure: THEOCHEM

Volumn 589-590, Issue , 2002, Pages 459-464

  Yavari, Issa ^a   Zabarjad Shiraz, Nader ^a   Shiri, Mohammad ^a   Dehghan, Sh ^b   Roohi, Hosein ^c  

^a TARBIAT MODARES UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

Author keywords

Ab initio calculations; Molecular modeling; Pentaloquinones; Strained molecules

Indexed keywords

ALKENE; PENTALENE; QUINONE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; ENERGY; GEOMETRY; ISOMERISM; STRUCTURE ANALYSIS;

EID: 0037119147     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00203-8     Document Type: Article

References (15)