| On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy A Witt, SD Ivanov, M Shiga, H Forbert, D Marx The Journal of chemical physics 130 (19), 2009 | 270 | 2009 |
| Exciton–vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates M Schröter, SD Ivanov, J Schulze, SP Polyutov, Y Yan, T Pullerits, O Kühn Physics Reports 567, 1-78, 2015 | 258 | 2015 |
| Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water SD Ivanov, A Witt, M Shiga, D Marx The Journal of chemical physics 132 (3), 2010 | 96 | 2010 |
| Quantum-induced symmetry breaking explains infrared spectra of CH5+ isotopologues SD Ivanov, O Asvany, A Witt, E Hugo, G Mathias, B Redlich, D Marx, ... Nature Chemistry 2 (4), 298-302, 2010 | 83 | 2010 |
| Theoretical spectroscopy using molecular dynamics: theory and application to CH 5+ and its isotopologues SD Ivanov, A Witt, D Marx Physical Chemistry Chemical Physics 15 (25), 10270-10299, 2013 | 66 | 2013 |
| Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated SD Ivanov, I Grant, D Marx J. Chem. Phys. 143, 124304, 2015 | 54 | 2015 |
| Infrared spectroscopy of fluxional molecules from (ab initio) molecular dynamics: Resolving large-amplitude motion, multiple conformations, and permutational symmetries G Mathias, SD Ivanov, A Witt, MD Baer, D Marx Journal of Chemical Theory and Computation 8 (1), 224-234, 2012 | 54 | 2012 |
| On the Applicability of the Caldeira-Leggett Model to Vibrational Spectroscopy in Solution F Gottwald, SD Ivanov, O Kühn The Journal of Physical Chemistry Letters 6 (14), 2722–2727, 2015 | 45 | 2015 |
| Herman-Kluk propagator is free from zero-point energy leakage M Buchholz, E Fallacara, F Gottwald, M Ceotto, F Grossmann, SD Ivanov Chemical Physics 515, 231-235, 2018 | 41 | 2018 |
| Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations F Gottwald, S Karsten, SD Ivanov, O Kühn J. Chem. Phys. 142, 244110, 2015 | 30 | 2015 |
| Quasi-classical approaches to vibronic spectra revisited S Karsten, SD Ivanov, SI Bokarev, O Kühn The Journal of chemical physics 148 (10), 2018 | 22 | 2018 |
| Vibrational spectroscopy via the Caldeira-Leggett model with anharmonic system potentials F Gottwald, SD Ivanov, O Kühn The Journal of Chemical Physics 144 (16), 164102, 2016 | 21 | 2016 |
| Microsolvation–Induced Quantum Localization in Protonated Methane A Witt, SD Ivanov, D Marx Physical Review Letters 110 (8), 083003, 2013 | 20 | 2013 |
| Quantum gas in an external field: exact grand canonical expressions and numerical treatment PN Vorontsov-Velyaminov, SD Ivanov, RI Gorbunov Physical Review E 59 (1), 168, 1999 | 17 | 1999 |
| Simulating vibronic spectra via Matsubara-like dynamics: Coping with the sign problem S Karsten, SD Ivanov, SI Bokarev, O Kühn The Journal of chemical physics 149 (19), 2018 | 15 | 2018 |
| Biphasic aggregation of a perylene bisimide dye identified by exciton-vibrational spectra PA Plötz, SP Polyutov, SD Ivanov, F Fennel, S Wolter, T Niehaus, Z Xie, ... Physical Chemistry Chemical Physics 18 (36), 25110-25119, 2016 | 15 | 2016 |
| Bead-Fourier path integral molecular dynamics SD Ivanov, AP Lyubartsev, A Laaksonen Physical Review E 67 (6), 066710, 2003 | 15 | 2003 |
| Quantum Molecular Dynamics Calculations of Ultrafast Time Scales and Infrared Spectra of Protonated Methane: Quantifying Isotope-Specific Lifetimes A Witt, SD Ivanov, G Mathias, D Marx The Journal of Physical Chemistry Letters 2 (12), 1377-1381, 2011 | 14 | 2011 |
| Microsolvation of Protonated Methane: Structures and Energetics of CH5+(H2)n A Witt, SD Ivanov, H Forbert, D Marx The Journal of Physical Chemistry A 112 (48), 12510-12517, 2008 | 13 | 2008 |
| A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy S Karsten, SI Bokarev, SG Aziz, SD Ivanov, O Kühn The Journal of Chemical Physics 146 (22), 2017 | 8 | 2017 |
Oliver KühnUniversity of RostockAdresă de e-mail confirmată pe uni-rostock.de
