Robin Grotjahn

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 16

Top Topics

Density Functional Theory

Raman Spectroscopy

Energy Transfer

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. A

Chemical communications (Cambridge, England)

Angewandte Chemie (International ed. in English)

This page only lists publications with an associated author ORCID identifier.

Publications

Robin Grotjahn, Justin Purnomo, Dayun Jin, Nicolas Lutfi, Filipp Furche
Chemically Accurate Singlet-Triplet Gaps of Arylcarbenes from Local Hybrid Density Functionals. The journal of physical chemistry. A (2024)
Robin Grotjahn, Justin Purnomo, Dayun Jin, Nicolas Lutfi, Filipp Furche
Chemically Accurate Singlet-Triplet Gaps of Arylcarbenes from Local Hybrid Density Functionals. The journal of physical chemistry. A 128 (29) (2024)
Kito Gilbert-Bass, Cary R Stennett, Robin Grotjahn, Joseph W Ziller, Filipp Furche, William J Evans
Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand. Chemical communications (Cambridge, England) (2024)
Kito Gilbert-Bass, Cary R Stennett, Robin Grotjahn, Joseph W Ziller, Filipp Furche, William J Evans
Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand. Chemical communications (Cambridge, England) 60 (34) (2024)
Kito Gilbert-Bass, Cary R Stennett, Robin Grotjahn, Joseph W Ziller, Filipp Furche, William J Evans
Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand. Chemical communications (Cambridge, England) 60 (34) (2024)
Robin Grotjahn, Justin Purnomo, Dayun Jin, Nicolas Lutfi, Filipp Furche
Chemically Accurate Singlet-Triplet Gaps of Arylcarbenes from Local Hybrid Density Functionals. The journal of physical chemistry. A 128 (29) (2024)
Susanne Fürst, Matthias Haasler, Robin Grotjahn, Martin Kaupp
Full Implementation, Optimization, and Evaluation of a Range-Separated Local Hybrid Functional with Wide Accuracy for Ground and Excited States. Journal of chemical theory and computation (2023)
Robin Grotjahn, Filipp Furche
Gauge-Invariant Excited-State Linear and Quadratic Response Properties within the Meta-Generalized Gradient Approximation. Journal of chemical theory and computation (2023)
Ahmadreza Rajabi, Robin Grotjahn, Dmitrij Rappoport, Filipp Furche
A DFT perspective on organometallic lanthanide chemistry. Dalton transactions (Cambridge, England : 2003) (2023)
Yannick J Franzke, Christof Holzer, Josefine H Andersen, Tomislav Begušić, Florian Bruder, Sonia Coriani, Fabio Della Sala, Eduardo Fabiano, Daniil A Fedotov, Susanne Fürst, Sebastian Gillhuber, Robin Grotjahn, Martin Kaupp, Max Kehry, Marjan Krstić, Fabian Mack, Sourav Majumdar, Brian D Nguyen, Shane M Parker, Fabian Pauly, Ansgar Pausch, Eva Perlt, Gabriel S Phun, Ahmadreza Rajabi, Dmitrij Rappoport, Bibek Samal, Tim Schrader, Manas Sharma, Enrico Tapavicza, Robert S Treß, Vamsee K Voora, Artur Wodyński, Jason M Yu, Benedikt Zerulla, Filipp Furche, Christof Hättig, Marek Sierka, David P Tew, Florian Weigend
TURBOMOLE: Today and Tomorrow. Journal of chemical theory and computation (2023)
Daniel P Harrison, Robin Grotjahn, Masnun Naher, Seyed Mohammad Bagher Hosseini Ghazvini, Daniel M Mazzucato, Marcus Korb, Stephen A Moggach, Colin J Lambert, Martin Kaupp, Paul J Low
Quantum Interference in Mixed-Valence Complexes: Tuning Electronic Coupling Through Substituent Effects. Angewandte Chemie (International ed. in English) 61 (45) (2022)
Robin Grotjahn, Martin Kaupp
Reliable TDDFT Protocol Based on a Local Hybrid Functional for the Prediction of Vibronic Phosphorescence Spectra Applied to Tris(2,2'-bipyridine)-Metal Complexes. The journal of physical chemistry. A 125 (32) (2021)
Matthias Haasler, Toni M Maier, Robin Grotjahn, Simon Gückel, Alexei V Arbuznikov, Martin Kaupp
A Local Hybrid Functional with Wide Applicability and Good Balance between (De)Localization and Left-Right Correlation. Journal of chemical theory and computation 16 (9) (2020)
Robin Grotjahn, Martin Kaupp
Validation of Local Hybrid Functionals for Excited States: Structures, Fluorescence, Phosphorescence, and Vibronic Spectra. Journal of chemical theory and computation 16 (9) (2020)
Robin Grotjahn, Gregor J Lauter, Matthias Haasler, Martin Kaupp
Evaluation of Local Hybrid Functionals for Electric Properties: Dipole Moments and Static and Dynamic Polarizabilities. The journal of physical chemistry. A 124 (40) (2020)
Robin Grotjahn, Filipp Furche, Martin Kaupp
Development and Implementation of Excited-State Gradients for Local Hybrid Functionals. Journal of chemical theory and computation 15 (10) (2019)