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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On the nature of the SiN double bond and the ease of bending at nitrogen
TL;DR: In this article, it was shown that an electropositive SiH3 substituent at nitrogen results in a nearly linear structure (∠SiNSi = 175.6°); the SiN double bond is 54.1 kcal/mol weaker than two SiN single bonds whereas the corresponding difference is only 1.6 kcal/m for CN vs two C-N bonds.
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Theoretical study of the carbenoid CH2FLi: Structures and energies of the stable configurations and transition states
TL;DR: The potential energy surface of the singlet carbenoid CH 2 FLi has been examined using ab initio methods including electron correlation and zero-point energy corrections as mentioned in this paper, and three non-tetrahedral structures found earlier are confirmed to be minima, but only the lowest energy structure 1 should be experimentally observable.
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On the Nature of Pyrazolylborane. An Ab Initio/IGLO/NMR Study
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Absolute configuration of pinacolyl alcohol
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