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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Stereochemistry of cyclopropylcarbinyl rearrangements. Synthesis and solvolysis of cyclopropylcarbinyl-1,1',1'-trans-2,3,3-d6 methanesulfonate
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Hypermetallation is ubiquitous: MX6 molecules (MCPb, XLiK)
TL;DR: The octahedral MX 6 hypermetallated clusters (M C, Si, Ge, Sn, Pb and X ) all are stable minima as discussed by the authors.
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Molecular structure of 1-aza-closo-dodecaborane(12). Experimental and theoretical refinement
Drahomír Hnyk,Michael Buehl,Paul von Ragué Schleyer,Hans V. Volden,Snefrid Gundersen,Jens Mueller,Peter Paetzold +6 more
TL;DR: In this paper, the gas-phase electron diffraction data (GED) for 1-aza-closo-dodecaborane, 1-NB 11 H 12, can be fit by four models with C 5υ symmetry almost equally well.
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Cyclopropylcyclopropylidenemethyl Cation: A Unique Stabilized Vinyl Cation Characterized by NMR Spectroscopy and Quantum Chemical ab Initio Calculations
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Theoretical study of metastable N2CO isomers. New candidates for high energy materials
TL;DR: In this article, the geometries, energies and frequencies of singlet and triplet N 2 CO isomers were computed ab initio at the HF/6-31G *, MP2/6 -31+G * and at the BECKE3LYP/6 −311+G* levels.