Application of activation hardness in perturbed pericyclic reactions: A case study involving electrocyclic ring opening reactions of heterocyclobutenes

Journal of Physical Organic Chemistry

Volumn 24, Issue 6, 2011, Pages 460-465

  Jaccob, M ^a   Sheeba Jem, I ^a,c   Giri, Santanab ^b   Venuvanalingam, P ^a   Chattaraj, P K ^b  

^a BHARATHIDASAN UNIVERSITY   (India)

^b INDIAN INSTITUTE OF TECHNOLOGY   (India)

^c UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

electrocyclic ring opening; hardness; HOMO; LUMO and Isomerizations; perturbed pericyclic reactions

Indexed keywords

1 ,3-BUTADIENE; BASIS SETS; CYCLOBUTENE; ELECTROCYCLIC RINGS; FRONTIER ORBITALS; HARDNESS VALUES; HETERODIENES; HOMO; LONE PAIR; LUMO AND ISOMERIZATIONS; PERICYCLIC REACTION; QUANTUM MECHANICAL; REACTION FREE ENERGY; RELATIVE REACTIVITIES;

BUTADIENE; BUTENES; QUANTUM THEORY;

HARDNESS;

EID: 79958231717     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1785     Document Type: Article

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