Reinhold F. Fink

University of Tübingen — Germany

Physics and Astronomy · Physical Sciences

31h-index3.2kcitations118works2.42yr avg
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Research Topics

Advanced Chemical Physics Studies(58), Spectroscopy and Quantum Chemical Studies(30), Photochemistry and Electron Transfer Studies(22), Crystallization and Solubility Studies(18), X-ray Diffraction in Crystallography(18)

Publications118 total

Effect of Disorder on the Emission Spectra of Er <sup>3+</sup> , Tm <sup>3+</sup> , and Yb <sup>3+</sup> -Doped β-NaYF <sub>4</sub> : Quantum Chemical and Experimental Results
The Journal of Physical Chemistry C·2025· 1 citedOpen Access
The true atomistic structure of a disordered crystal: a computational study on the photon upconverting material β-NaYF<sub>4</sub> and its Er<sup>3+</sup>-, Tm<sup>3+</sup>-, and Yb<sup>3+</sup>-doped derivates
Nanoscale·2025· 4 citedOpen Access
What is the Exchange Repulsion Energy? Insight by Partitioning into Physically Meaningful Contributions
ChemPhysChem·2024· 3 citedOpen Access
What is the exchange-repulsion energy? Insight by partitioning into physically meaningful contributions
2024· 1 citedOpen Access
Experimental and theoretical investigation of the Auger electron spectra of isothiocyanic acid, HNCS
Physical Chemistry Chemical Physics·2024· 3 citedOpen Access
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange‐Repulsion Energy**
ChemPhysChem·2023· 13 citedOpen Access
Rationalizing aggregate structures with orbitalcontributions to the exchange-repulsion energy
2022Open Access
CSD 2092863: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CSD 2092864: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CSD 2092866: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CSD 2092862: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CSD 2092865: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Pnictide-Capped Butterfly Cluster in the Crystal Structure of Nb<sub>4</sub><i>PnX</i><sub>11</sub> (<i>Pn</i> = N, P; <i>X</i> = Cl, Br, I)
Inorganic Chemistry·2022· 5 cited
Accurate property prediction by second order perturbation theory: The REMP and OO-REMP hybrids
The Journal of Chemical Physics·2022· 1 cited
UREMP, RO-REMP, and OO-REMP: Hybrid perturbation theories for open-shell electronic structure calculations
The Journal of Chemical Physics·2022· 7 cited
Coincidence study of core-ionized adamantane: site-sensitivity within a carbon cage?
Physical Chemistry Chemical Physics·2022· 6 citedOpen Access
Auger electron spectroscopy of fulminic acid, HCNO: an experimental and theoretical study
Physical Chemistry Chemical Physics·2022· 10 cited
OO-REMP: Approaching Chemical Accuracy with Second-Order Perturbation Theory
Journal of Chemical Theory and Computation·2021· 7 cited
Geometry relaxation-mediated localization and delocalization of excitons in organic semiconductors: A quantum chemical study
The Journal of Chemical Physics·2020· 23 cited
REMP: A hybrid perturbation theory providing improved electronic wavefunctions and properties
The Journal of Chemical Physics·2019· 6 cited
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Frequent Co-authors

Bernd Engels(17), Volker Settels(7), S. Svensson(7), M. N. Piancaśtelli(6), R. Feifel(6), S. L. Sörensen(6), Wenlan Liu(5), Olle Björneholm(5), Johannes Pfister(5), Vera Stehr(5), Carsten Deibel(4), Volker Staemmler(3), I. Hjelte(3), M. Bäßler(3), A. Ausmees(3), Catalin Miron(3), Jens Pflaum(3), A. Kivimäki(3), Mika Kivilompolo(3), H. Aksela(3)