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Journal of Chemical Theory and Computation|July 3, 2023
Gauge-Invariant Excited-State Linear and Quadratic Response Properties within the Meta-Generalized Gradient ApproximationRobin Grotjahn, Filipp FurcheThe Journal of Physical Chemistry Letters|June 13, 2024
Comment on: "Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation"Robin Grotjahn, Filipp FurcheJournal of Chemical Theory and Computation|August 30, 2019
Development and Implementation of Excited-State Gradients for Local Hybrid FunctionalsRobin Grotjahn, Filipp Furche, Martin KauppThe Journal of Chemical Physics|September 22, 2022
Importance of imposing gauge invariance in time-dependent density functional theory calculations with meta-generalized gradient approximationsRobin Grotjahn, Filipp Furche, Martin KauppDalton Transactions (Cambridge, England : 2003)|November 28, 2023
A DFT perspective on organometallic lanthanide chemistryAhmadreza Rajabi, Robin Grotjahn, Dmitrij Rappoport, et al.Inorganic Chemistry|May 6, 2025
Theoretical Characterization of Bis(pentaisopropylcyclopentadienyl) Rare-Earth MetallocenesAhmadreza Rajabi, Dang Khoa Nguyen, Robin Grotjahn, et al.The Journal of Physical Chemistry. A|July 16, 2024
Chemically Accurate Singlet-Triplet Gaps of Arylcarbenes from Local Hybrid Density FunctionalsRobin Grotjahn, Justin Purnomo, Dayun Jin, et al.Chemical Communications (Cambridge, England)|April 8, 2024
Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligandKito Gilbert-Bass, Cary R Stennett, Robin Grotjahn, et al.The Journal of Chemical Physics|December 3, 2008
Developing the random phase approximation into a practical post-Kohn-Sham correlation modelFilipp FurcheThe Journal of Chemical Physics|October 15, 2010
Property-optimized gaussian basis sets for molecular response calculationsDmitrij Rappoport, Filipp FurchePageof 14