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Andreas W. Ehlers
Researcher at University of Amsterdam
Publications - 142
Citations - 6528
Andreas W. Ehlers is an academic researcher from University of Amsterdam. The author has contributed to research in topics: Phosphinidene & Lewis acids and bases. The author has an hindex of 32, co-authored 140 publications receiving 5859 citations. Previous affiliations of Andreas W. Ehlers include VU University Amsterdam & Uppsala University.
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Geometry optimizations in the zero order regular approximation for relativistic effects.
TL;DR: In this paper, the energy gradients in the zeroth order regular approximation (ZORA) to the Dirac equation were derived for the transition metal complexes W(CO), Os(CO)5, and Pt (CO)4.
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Performance of the OPBE exchange-correlation functional
TL;DR: In a recent evaluation of density functional theory (DFT) functionals OPBE, which combines Handy's optimized exchange (OPTX) with the PBE correlation, was shown to correctly predict the spin states (singlet through sextet) of seven different iron complexes as mentioned in this paper.
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Geminal phosphorus/aluminum-based frustrated Lewis pairs: C-H versus C≡C activation and CO2 fixation
Christian Appelt,Hauke Westenberg,Federica Bertini,Andreas W. Ehlers,J. Chris Slootweg,Koop Lammertsma,Werner Uhl +6 more
TL;DR: Alongside polyfluorinated boranes, alanes are also ideal Lewis acids for FLP chemistry, and they can bind carbon dioxide reversibly.
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Structures and Bond Energies of the Transition Metal Hexacarbonyls M(CO)6 (M = Cr, Mo, W). A Theoretical Study
TL;DR: In this article, the Hartree-Fock and ML2 levels of theory using effective core potentials for the metal atoms were used to optimize the geometries of hexacarbonyls.
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Preorganized frustrated Lewis pairs.
Federica Bertini,Volodymyr Lyaskovskyy,Brian J. J. Timmer,F. J. J. De Kanter,Martin Lutz,Andreas W. Ehlers,J.C. Slootweg,Koop Lammertsma +7 more
TL;DR: Geminal frustrated Lewis pairs are expected to exhibit increased reactivity when the donor and acceptor sites are perfectly aligned, and this is shown for reactions of the nonfluorinated FLP tBu(2)PCH(2), CO(2, and isocyanates and supported computationally.