Showing results (111-120 of 365) with videos related to
Sort By:
Pageof 37
The Journal of Chemical Physics|January 14, 2012
Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction correctionsAlexei V Arbuznikov, Martin KauppChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 24, 2006
Hyperfine coupling tensors of the benzosemiquinone radical anion from Car-Parrinello molecular dynamicsJames R Asher, Martin KauppThe Journal of Chemical Physics|June 10, 2008
What can we learn from the adiabatic connection formalism about local hybrid functionals?Alexei V Arbuznikov, Martin KauppInorganic Chemistry|June 30, 2012
Density functional theory and X-ray analysis of the structural variability in η5,η5,η1-tris(ring) rare earth/actinide tetramethylpyrrolyl complexes, (C5Me5)2M(NC4Me4)Christopher L Webster, Jefferson E Bates, Ming Fang, et al.Journal of the American Chemical Society|August 27, 2024
The Scandium(II) Carbonyl Complex (C5H2tBu3)2Sc(CO) and Its Isocyanide Analog (C5H2tBu3)2Sc(CNC6H3Me2-2,6)Joshua D Queen, Quinn E Goudzwaard, Ahmadreza Rajabi, et al.Journal of Chemical Theory and Computation|November 27, 2015
Coupled-Perturbed Scheme for the Calculation of Electronic g-Tensors with Local Hybrid FunctionalsAlexei V Arbuznikov, Martin KauppJournal of Chemical Theory and Computation|February 25, 2021
Effect of the Current Dependence of Tau-Dependent Exchange-Correlation Functionals on Nuclear Shielding CalculationsCaspar Jonas Schattenberg, Martin KauppThe Journal of Physical Chemistry. A|March 18, 2021
Implementation and Validation of Local Hybrid Functionals with Calibrated Exchange-Energy Densities for Nuclear Shielding ConstantsCaspar Jonas Schattenberg, Martin KauppJournal of the American Chemical Society|September 8, 2022
Solid-State End-On to Side-On Isomerization of (N═N)2- in {[(R2N)3Nd]2N2}2- (R = SiMe3) Connects In Situ LnIII(NR2)3/K and Isolated [LnII(NR2)3]1- Dinitrogen ReductionAmanda B Chung, Dmitrij Rappoport, Joseph W Ziller, et al.Chemical Science|March 6, 2026
Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr iPr6)3, arising from two-electron reduction by Ln(SAr iPr6)2 [Ar iPr6 = C6H3-2,6-(C6H2-2,6,4- i Pr3)2]Makayla R Luevano, Cary R Stennett, Eric Ma, et al.Pageof 37