P
Paul von Ragué Schleyer
Researcher at University of Erlangen-Nuremberg
Publications - 888
Citations - 53731
Paul von Ragué Schleyer is an academic researcher from University of Erlangen-Nuremberg. The author has contributed to research in topics: Ab initio & Ab initio quantum chemistry methods. The author has an hindex of 99, co-authored 888 publications receiving 51421 citations. Previous affiliations of Paul von Ragué Schleyer include University of Edinburgh & Yarmouk University.
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Structure of the 2-butyl cation. Hydrogen bridged or methyl bridged?
Journal ArticleDOI
Structure, stabilization energies and chemical shifts of the cyclobutenyl cation. Does it have ‘aromatic’ homocyclopropenium ion character? An ab initio study
Stefan Sieber,Paul von Ragué Schleyer,André Henry Otto,Jürgen Gauss,Felix Reichel,Dieter Cremer +5 more
TL;DR: In this article, the cyclobutenyl cation 1 has been shown to have relatively high stability and the structure of the simplest homoaromatic carbocation, the cyclogenyl carbocation 1, was established by using correlated wave functions at HF 6-31G*, MP2(full)/6−31G* and MP4(SDQ, full)/6-311G* geometries.
Journal ArticleDOI
Dimerization of borirene to 1,4-diboracyclohexadiene: structures and stabilities of (CH)4(BH)2 molecules
TL;DR: On etudie, par des theories MO semiempirique et ab initio, les mecanismes possibles de la dimerisation du borirene en dihydro-1,4 diborinne- 1,4 and en son isomere plus stable tetracarba-2,3,4,5 nidohexaborane (6) as discussed by the authors.