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Journal 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 KauppJournal 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 FurcheDalton Transactions (Cambridge, England : 2003)|November 28, 2023
A DFT perspective on organometallic lanthanide chemistryAhmadreza Rajabi, Robin Grotjahn, Dmitrij Rappoport, et al.The Journal of Physical Chemistry. A|August 9, 2021
Reliable TDDFT Protocol Based on a Local Hybrid Functional for the Prediction of Vibronic Phosphorescence Spectra Applied to Tris(2,2'-bipyridine)-Metal ComplexesRobin Grotjahn, Martin KauppThe Journal of Chemical Physics|October 2, 2021
Assessment of hybrid functionals for singlet and triplet excitations: Why do some local hybrid functionals perform so well for triplet excitation energies?Robin Grotjahn, Martin KauppJournal of Chemical Theory and Computation|July 24, 2020
Validation of Local Hybrid Functionals for Excited States: Structures, Fluorescence, Phosphorescence, and Vibronic SpectraRobin Grotjahn, Martin KauppInorganic 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.Pageof 37