Volume 78, Issue 5-6 | Theoretical Chemistry Accounts

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Volume 78, Issue 5-6

September 1991

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4 articles in this issue

The ring opening of cyclopropylidene to allene: global features of the reaction surface
P. Valtazanos
S. T. Elbert
K. Ruedenberg
OriginalPaper Pages: 287 - 326
The ring opening of cyclopropylidene to allene and the isomerization of allene:ab initio interpretation of the electronic rearrangements in terms of quasi-atomic orbitals
S. Xantheas
P. Valtazanos
K. Ruedenberg
OriginalPaper Pages: 327 - 363
The ring opening of cyclopropylidene to allene: key features of the accurate reaction surface
S. Xantheas
S. T. Elbert
K. Ruedenberg
OriginalPaper Pages: 365 - 395
The ring opening of substituted cyclopropylidenes to substituted allenes: the effects of steric and long-range electrostatic interactions
Petros Valtazanos
Klaus Ruedenberg
OriginalPaper Pages: 397 - 416