D
D. Andrae
Researcher at University of Stuttgart
Publications - 4
Citations - 7126
D. Andrae is an academic researcher from University of Stuttgart. The author has contributed to research in topics: Diatomic molecule & Pseudopotential. The author has an hindex of 2, co-authored 3 publications receiving 6443 citations.
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Energy-adjustedab initio pseudopotentials for the second and third row transition elements
TL;DR: In this paper, nonrelativistic and quasirelativisticab initio pseudopotentials substituting the M(Z−28)+-core orbitals of the second row transition elements and the M (Z−60)+- core orbitals, respectively, and optimized (8s7p6d)/[6s5p3d]-GTO valence basis sets for use in molecular calculations were generated.
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Energy-adjustedab initio pseudopotentials for the second and third row transition elements: Molecular test for M2 (M=Ag, Au) and MH (M=Ru, Os)
TL;DR: In this article, nonrelativistic and quasirelativistic energy-adjusted pseudopotentials representing the M(Z−28)+ cores of the second row transition metal atoms and the M (Z−60)+ core of the third row metal atoms have been tested in SCF, CI(SD) and CEPA1 calculations of the spectroscopic constants.
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Reactivity of Sodium Pentaphospholide Na[cyclo‐P5] towards C≡E (E=C, N, P) Triple Bonds
Andrey Petrov,Lawrence Conrad,Nathan T. Coles,Manuela Weber,D. Andrae,Almaz Zagidullin,Vasily A. Miluykov,Christian P. Müller +7 more
TL;DR: In this paper , a diglyme solution of Na[cyclo-P5] reacts with isolobal nitriles and phosphaalkynes to afford the otherwise elusive (aza)phospholide anions 2, a-c, 4, a,b, and 6.