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Journal of Chemical Theory and Computation|March 29, 2020
Thermochemistry of FeO<i></i>H<i></i> Species: Assessment of Some DFT FunctionalsMarc Reimann, Florian A Bischoff, Joachim SauerJournal of Chemical Theory and Computation|January 4, 2020
An Efficient Coupled-Perturbed Kohn-Sham Implementation of NMR Chemical Shift Computations with Local Hybrid Functionals and Gauge-Including Atomic OrbitalsCaspar Jonas Schattenberg, Kevin Reiter, Florian Weigend, et al.The Journal of Physical Chemistry. A|September 7, 2020
Evaluation of Local Hybrid Functionals for Electric Properties: Dipole Moments and Static and Dynamic PolarizabilitiesRobin Grotjahn, Gregor J Lauter, Matthias Haasler, et al.The Journal of Chemical Physics|October 17, 2015
Design of exchange-correlation functionals through the correlation factor approachJana Pavlíková Přecechtělová, Hilke Bahmann, Martin Kaupp, et al.Journal of Chemical Theory and Computation|November 25, 2015
The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory StudyShadan Ghassemi Tabrizi, Vladimir Pelmenschikov, Louis Noodleman, et al.Journal of Chemical Theory and Computation|September 2, 2017
Development of a TDDFT-Based Protocol with Local Hybrid Functionals for the Screening of Potential Singlet Fission ChromophoresRobin Grotjahn, Toni M Maier, Josef Michl, et al.Physical Chemistry Chemical Physics : PCCP|October 27, 2016
Giant spin-orbit effects on <sup>1</sup>H and <sup>13</sup>C NMR shifts for uranium(vi) complexes revisited: role of the exchange-correlation response kernel, bonding analyses, and new predictionsAnja H Greif, Peter Hrobárik, Jochen Autschbach, et al.Inorganic Chemistry|October 1, 2015
Relativistic and Solvation Effects on the Stability of Gold(III) Halides in Aqueous SolutionKolja Theilacker, H Bernhard Schlegel, Martin Kaupp, et al.The Journal of Chemical Physics|January 11, 2007
A thermochemically competitive local hybrid functional without gradient correctionsHilke Bahmann, Alexander Rodenberg, Alexei V Arbuznikov, et al.The Journal of Physical Chemistry. A|September 21, 2020
Nuclear Spin-Spin Couplings: Efficient Evaluation of Exact Exchange and Extension to Local Hybrid FunctionalsFabian Mack, Caspar J Schattenberg, Martin Kaupp, et al.Pageof 26