Christof Hättig

Physics and Astronomy · Physical Sciences

63h-index20.6kcitations254works1.82yr avg
OpenAlex↗ORCID↗Google Scholar↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Advanced Chemical Physics Studies(136), Spectroscopy and Quantum Chemical Studies(84), Photochemistry and Electron Transfer Studies(56), Nonlinear Optical Materials Research(24), Molecular spectroscopy and chirality(24)

Publications254 total

Computational study on the pyrolysis of 2,5-diketopiperazine: From electronic structure calculations to kinetic modeling
Fuel·2026Open Access
Comparative Study on the Catalytic Activity of [CoIII4O4] Heterocubanes in Alcohol Oxidation Reactions in Solution
2025
Unlocking simultaneous blue and green phosphorescence from three-donors-single acceptor conjugate
Journal of Luminescence·2025
Selective Oxidation of Short-Chain Alcohols on Spinel CoFe2O4 (001) Surfaces: Mechanistic Insights from DFT
2025
Author response for "Mind the gaps: what the STGABS27 set can teach about second-order excited state methods, solvent models, and charge transfer"
2025
Author response for "Comparison of the solvation models COSMO and EC-RISM for the prediction of photoacidity in aqueous solution†"
2025
Author response for "Mind the gaps: what the STGABS27 set can teach about second-order excited state methods, solvent models, and charge transfer"
2025
Mechanistic and Structural Insights into the Liquid-Phase Oxidation of Cyclohexane over LaCo<sub><b>0.7</b></sub>Fe<sub><b>0.3</b></sub>O<sub><b>3</b></sub> Perovskite Nanoparticles
ACS Catalysis·2025· 1 cited
Oxygen evolution reaction on IrO2(110) is governed by Walden-type mechanisms
Nature Communications·2025· 15 citedOpen Access
Gradients of Ground and Excited States for CC2 and ADC(2) in Polarizable Continuum and Atomistic Embeddings within a Generalized PTED Coupling Scheme
The Journal of Physical Chemistry A·2025· 4 citedOpen Access
Mind the Gaps: What the STGABS27 Set Can Teach About Second Order Excited State Methods, Solvent Models, and Charge Transfer
2025Open Access
Synthesis, Characterization, and Electrochemical Properties of Tri‐ and Tetranuclear Co<sup>III</sup>‐Oxo Complexes
European Journal of Inorganic Chemistry·2025· 1 citedOpen Access
Gradients of ground and excited states for CC2 and ADC(2) in polarizable continuum and atomistic embeddings within a generalized PTED coupling scheme
2025Open Access
Quantum Chemical Study on the Evolution of Sulfur Functional Groups during Char Burnout
The Journal of Physical Chemistry A·2025· 2 cited
Comparison of the solvation models COSMO and EC-RISM for the prediction of photoacidity in aqueous solution
Physical Chemistry Chemical Physics·2025· 1 citedOpen Access
Surface hopping simulations reveal deactivation pathways of a charge transfer system with planarizing and twisting motion
Physical Chemistry Chemical Physics·2025Open Access
Mind the gaps: what the STGABS27 set can teach about second-order excited state methods, solvent models, and charge transfer
Physical Chemistry Chemical Physics·2025· 1 cited
Nuclear Quantum Effects Have a Significant Impact on UV/Vis Absorption Spectra of Chromophores in Water
Angewandte Chemie·2024
Nuclear Quantum Effects Have a Significant Impact on UV/Vis Absorption Spectra of Chromophores in Water
Angewandte Chemie International Edition·2024· 7 citedOpen Access
Oxygen evolution reaction on IrO2(110) is governed by Walden-type mechanisms
2024· 2 citedOpen Access
page 1 of 13Next →

Frequent Co-authors

David P. Tew(11), Andreas Köhn(8), Ove Christiansen(8), Wim Klopper(8), Poul Jørgensen(6), Florian Weigend(5), Sonia Coriani(5), Benjamin Helmich‐Paris(5), Henrik Koch(4), Arnim Hellweg(4), Berta Fernández(3), Heike Fliegl(3), Trygve Helgaker(3), Jacob Kongsted(3), Jeppe Olsen(3), Filip Pawłowski(3), Thomas Bondo Pedersen(3), Filipp Furche(3), Gunnar Alexander Schmitz(3), Marek Sierka(3)