Tobias Schwabe

Paderborn University — Germany

Physics and Astronomy · Physical Sciences

20h-index4.3kcitations41works0.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(24), Advanced Chemical Physics Studies(22), Photochemistry and Electron Transfer Studies(12), Chemical Thermodynamics and Molecular Structure(4), Free Radicals and Antioxidants(4)

Publications41 total

Oxygen detection with zinc oxide nanoparticle structures
2019
Corrected Polarizable Embedding: Improving the Induction Contribution to Perichromism for Linear Response Theory
Journal of Chemical Theory and Computation·2017· 14 cited
Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling
Journal of Chemical Theory and Computation·2017· 93 citedOpen Access
Review of Proteinochromism Modeling in Computational Chemistry
Current Organic Chemistry·2017· 4 cited
Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets
The Journal of Chemical Physics·2017· 54 cited
General theory for environmental effects on (vertical) electronic excitation energies
The Journal of Chemical Physics·2016· 27 cited
Efficient determination of accurate atomic polarizabilities for polarizeable embedding calculations
Journal of Computational Chemistry·2016· 9 citedOpen Access
Correction to “Assessing Molecular Dynamics Simulations with Solvatochromism Modeling”
The Journal of Physical Chemistry B·2016
Double hybrid density functional approximations
Chemical modelling·2016· 9 cited
Correction: Analysis of computational models for an accurate study of electronic excitations in GFP
Physical Chemistry Chemical Physics·2015Open Access
Assessing Molecular Dynamics Simulations with Solvatochromism Modeling
The Journal of Physical Chemistry B·2015· 18 cited
Reformulation of the D3(Becke–Johnson) Dispersion Correction without Resorting to Higher than <i>C</i><sub>6</sub> Dispersion Coefficients
Journal of Chemical Theory and Computation·2015· 146 cited
Benchmark of electronic structure methods for protein–ligand interactions based on high-level reference data
Journal of Theoretical and Computational Chemistry·2014· 7 cited
Analysis of computational models for an accurate study of electronic excitations in GFP
Physical Chemistry Chemical Physics·2014· 56 citedOpen Access
An isomeric reaction benchmark set to test if the performance of state-of-the-art density functionals can be regarded as independent of the external potential
Physical Chemistry Chemical Physics·2014· 16 citedOpen Access
Effect of chromophore encapsulation on linear and nonlinear optical properties: the case of “miniSOG”, a protein-encased flavin
Physical Chemistry Chemical Physics·2014· 26 citedOpen Access
Comment on “Solvatochromic shifts of polar and non-polar molecules in ambient and supercritical water: A sequential quantum mechanics/molecular mechanics study including solute-solvent electron exchange-correlation” [J. Chem. Phys. 137, 214504 (2012)]
The Journal of Chemical Physics·2013· 1 citedOpen Access
Systematic Study of the Basis Set Superposition Error in Core–Electron Correlation Effects
The Journal of Physical Chemistry A·2013· 18 cited
Computational screening of one- and two-photon spectrally tuned channelrhodopsin mutants
Physical Chemistry Chemical Physics·2013· 41 cited
PERI–CC2: A Polarizable Embedded RI-CC2 Method
Journal of Chemical Theory and Computation·2012· 77 cited
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Frequent Co-authors

Stefan Grimme(17), Jacob Kongsted(8), Ove Christiansen(6), Kristian Sneskov(5), Jógvan Magnus Haugaard Olsen(5), Heiner Schröder(4), Frank Neese(3), Jens Antony(2), Christof Hättig(2), Maarten T. P. Beerepoot(2), Jean‐Pierre Djukic(2), Robert Huenerbein(2), Christian Mück‐Lichtenfeld(1), Simone Koßmann(1), Birgitta Schirmer(1), Anne Creon(1), Lars Goerigk(1), Jens Hühnert(1), Simon Beuck(1), Nils E. Schlörer(1)