Molecular mechanics and ab initio calculations on cyclopentadienyl cations

Journal of Computational Chemistry

Volumn 19, Issue 12, 1998, Pages 1402-1420

  Reindl, Bernd ^a   Schleyer, Paul Von R ^b  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

Antiaromatic destabilization energies; Homoallylic t butylcyclopentadienyl cation structure; Singlet triplet separation; Stabilization by 1,3 overlaps; Structures and heats of formation

Indexed keywords

EID: 0001541389     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1096-987x(199809)19:12<1402::aid-jcc7>3.0.co;2-m     Document Type: Article

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