24 Einträge gefunden

1. Double hybrid density functional approximations

   1. Schwabe, Tobias

   2017 - Forschungsinformationssystem der UHH
2. Evaluation of DFT-D3 dispersion corrections for various structural benchmark sets

   1. Schröder, H.
   2. Hühnert, J.
   3. Schwabe, Tobias

   2017 - Forschungsinformationssystem der UHH
3. Review of proteinochromism modeling in computational chemistry

   1. Schwabe, Tobias

   2017 - Forschungsinformationssystem der UHH
4. Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling

   1. Schwabe, Tobias
   2. Goerigk, L.

   2017 - Forschungsinformationssystem der UHH
5. Efficient determination of accurate atomic polarizabilities for polarizeable embedding calculations

   1. Schröder, Heiner
   2. Schwabe, Tobias

   2016 - Forschungsinformationssystem der UHH - frei zugänglich
6. Erratum: Analysis of computational models for an accurate study of electronic excitations in GFP (Physical Chemistry Chemical Physics (2015) 17 (2582-2588))

   1. Schwabe, Tobias
   2. Beerepoot, M.T.P.
   3. Olsen, J.M.H.
   4. Kongsted, J.

   2016 - Forschungsinformationssystem der UHH
7. General theory for environmental effects on (vertical) electronic excitation energies

   1. Schwabe, Tobias

   2016 - Forschungsinformationssystem der UHH
8. Benchmark of electronic structure methods for protein-ligand interactions based on high-level reference data

   1. Yilmazer, Nusret Duygu
   2. Heitel, Pascal
   3. Schwabe, Tobias
   4. Korth, Martin

   2015 - Forschungsinformationssystem der UHH
9. Assessing molecular dynamics simulations with solvatochromism modeling

   1. Schwabe, Tobias

   2015 - Forschungsinformationssystem der UHH
10. Reformulation of the D-3(Becke-Johnson) dispersion correction without resorting to higher than C-6 dispersion coefficients

    1. Schröder, Heiner
    2. Creon, Anne
    3. Schwabe, Tobias

    2015 - Forschungsinformationssystem der UHH
11. Analysis of computational models for an accurate study of electronic excitations in GFP

    1. Schwabe, Tobias
    2. Beerepoot, Maarten T. P.
    3. Olsen, Jogvan Magnus Haugaard
    4. Kongsted, Jacob

    2015 - Forschungsinformationssystem der UHH
12. Effect of chromophore encapsulation on linear and nonlinear optical properties: the case of "miniSOG'', a protein-encased flavin

    1. List, Nanna H.
    2. Pimenta, Frederico M.
    3. Holmegaard, Lotte
    4. Jensen, Rasmus L.
    5. Etzerodt, Michael
    6. Schwabe, Tobias
    7. Kongsted, Jacob

    2014 - Forschungsinformationssystem der UHH
13. Arbeitskreis Theoretische und Computergestützte Chemie, Institut für Physikalische Chemie und Zentrum für Bioinformatik

    1. Schwabe, Tobias

    2014 - Forschungsinformationssystem der UHH
14. 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

    1. Schwabe, Tobias

    2014 - Forschungsinformationssystem der UHH
15. Computational screening of one- and two-photon spectrally tuned channelrhodopsin mutants

    1. Sneskov, Kristian
    2. Olsen, Jógvan Magnus Haugaard
    3. Schwabe, Tobias
    4. Hättig, Christof
    5. Christiansen, Ove
    6. Kongsted, Jacob

    2013 - Forschungsinformationssystem der UHH
16. Systematic study of the basis set superposition error in core-electron correlation effects

    1. Schwabe, Tobias

    2013 - Forschungsinformationssystem der UHH
17. 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)]

    1. Schwabe, Tobias

    2013 - Forschungsinformationssystem der UHH
18. Jenseits von Google - Chemie im Computer- und Informationszeitalter

    1. Rarey, Matthias
    2. Schwabe, Tobias

    2013 - Forschungsinformationssystem der UHH
19. PERICC2:a polarizable embedded RI-CC2 method

    1. Schwabe, Tobias
    2. Sneskov, Kristian
    3. Haugaard Olsen, Jógvan Magnus
    4. Kongsted, Jacob
    5. Christiansen, Ove
    6. Hättig, Christof

    2012 - Forschungsinformationssystem der UHH
20. PERI-CC2: A polarizable embedded RI-CC2 method

    1. Schwabe, Tobias
    2. Sneskov, K.
    3. Haugaard Olsen, J.M.
    4. Kongsted, J.
    5. Christiansen, O.
    6. Hättig, C.

    2012 - Forschungsinformationssystem der UHH