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.
Papers
More filters
Journal ArticleDOI
Hydrogen bonding. I. Two approaches to accurate heats of formation
Journal ArticleDOI
Structure and conformation of 1,4-dihydrobenzene, 1,4-dihydronaphthalene, and 9,10-dihydroanthracene. A theoretical study
Kenny B. Lipkowitz,Peter W. Rabideau,Douglas J. Raber,Paul von Ragué Schleyer,Alexander J. Kos,Richard A. Kahn,Linda E. Hardee +6 more
TL;DR: In this article, the title compounds have been studied by using both molecular mechanics (MMI and MM2) and molecular orbital (MINDO/3, MNDO, and ab initio (3-21G basis)) calculations.
Journal ArticleDOI
The structure and stability of the acetylene dication
TL;DR: The dication C2H has been investigated by ab initio molecular orbital theory as discussed by the authors, and it is found to have a linear (D∞h), structure with a triplet (3σ−g) ground state.
Journal ArticleDOI
Allyl-lithium: a rapidly equilibrating, unsymmetrical dimer in tetrahydrofuran
TL;DR: In this article, the rotational barrier of tetrahydrofuran was calculated for the isolated allyl-lithium monomer (177 kcal/mol), which is an unsymmetrical dimer.
Journal ArticleDOI
Monocyclisches (CH)9+ – ein Heilbronner‐Möbius‐Aren
TL;DR: In this article, a reaktive Zwischenstufe erzeugte monocyclische, C2-symmetrische Kation (CH)9+1 ist das erste der bereits 1964 von Heilbronner vorhergesagten Mobius-aromatischen [4n]Annulene.