RM
Roland Mitrić
physics.chem-phQuantum TheoryModels, ChemicalModels, Molecularphysics.comp-phphysics.opticsVibrationcond-mat.mtrl-sciModels, BiologicalModels, Theoretical
On Valency
published · living versionsW_n24t3cny·v1 · currentpublished
Resolving Photochemical Reaction Pathways Using Field-Induced Surface Hopping Simulation of fs-EUV-TRPES: The Case of Furan
with Xincheng Miao, Toshinori Suzuki
1 version
W_t5x5t6jk·v1published
Preprints & journals
154 papers in the corpus · 2003–2026Disorder-induced Dark States Line Shape in Pump-Probe Spectroscopy of Polaritons2607.17587v1 · Luca Nils Philipp, Julian Luttig, Roland Mitri'c2026 · 0 citationsarXiv
Perspective on a challenge: Predicting the photochemistry of cyclobutanone.42446072 · Janoš, Jiří, List, Nanna Holmgaard, Orr-Ewing, Andrew J et al.2026 · 5 citationsThe Journal of chemical physics. 2026;165(2)
Luminescence Behavior of Di(pyridine-2-yl)methyl-substituted Phosphine Oxides10.26434/chemrxiv.15005852/v1 · Jonathan Gutenthaler-Tietze, Richard Einsele, Jiyong Kim et al.2026 · 0 citationsChemRxiv
FMO-xTB: Fragment molecular orbital method with GFN1-xTB for large-scale quantum-mechanical simulations2606.28022v1 · Richard Einsele, Roland Mitric2026 · 0 citationsarXivon Valency
Threshold Photoelectron Spectroscopy, Dissociative Photoionization, and Pyrolysis of Aziridine.42294905 · Cardwell, Henry, Schleier, Domenik, Petersen, Jens et al.2026 · 0 citationsThe journal of physical chemistry. A. 2026;130(26):4839-4849
A Hardware-Native Realisation of Semi-Empirical Electronic Structure Theory on Field-Programmable Gate Arrays2602.11702v1 · Xincheng Miao, Roland Mitri'c2026 · 0 citationsarXiv
Exciton-Exciton and Exciton-Photon Annihilation in Polaritonic Systems2601.08607v1 · Luca Nils Philipp, Julian Luttig, Roland Mitric2026 · 1 citationarXiv
Competing excitonic couplings as origin of mimicked phase transitions in zinc-phthalocyanine single crystals2512.02639v1 · Lisa Schraut-May, Sebastian Hammer, Luca Nils Philipp et al.2025 · 0 citationsarXiv
Time-resolved X-ray spectroscopy of phenanthridine: elucidating the photodynamics of a nitrogen-containing polycyclic aromatic hydrocarbon.41181235 · Schaffner, Dorothee, Diemer, Kira, Miao, Xincheng et al.2025 · 1 citationChemical science. 2025;16(47):22711-22722
Line shapes in pump-probe spectroscopy of polaritons.40985664 · Philipp, Luca Nils, Münzel, Eva, Lüttig, Julian et al.2025 · 2 citationsThe Journal of chemical physics. 2025;163(12)
Cerium Dimer Anion and the Contribution of 4f Electrons to Lanthanide Metal-Metal Bonds.40998303 · Jin, Jiaye, Kavka, Nikita, Chiba, Tatsuya et al.2025 · 7 citationsJournal of the American Chemical Society. 2025;147(42):37977-37984
Probing plexciton dynamics with higher-order spectroscopy.40698802 · Büttner, Simon, Philipp, Luca Nils, Lüttig, Julian et al.2025 · 7 citationsThe Journal of chemical physics. 2025;163(4)
The Electronic Structure of the Superatom Au3.40698740 · Kavka, Nikita, Förstel, Marko, Pollow, Kai et al.2025 · 6 citationsJournal of the American Chemical Society. 2025;147(34):31111-31120
DIALECT, a Software Package for Exciton Spectra and Dynamics in Large Molecular Assemblies from Weak to Strong Light-Matter Coupling Regimes.40673727 · Einsele, Richard, Miao, Xincheng, Philipp, Luca Nils et al.2025 · 2 citationsThe journal of physical chemistry. A. 2025;129(30):6994-7007
FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime.39412055 · Einsele, Richard, Philipp, Luca Nils, Mitrić, Roland2024 · 1 citationThe Journal of chemical physics. 2024;161(15)
Anisotropic Photo-Physical Properties of Plexcitons in Strongly Coupled Metal-Organic Thin Films2409.01210v1 · Maximilian Rodel, Luca Nils Philipp, Jin Hong Kim et al.2024 · 6 citationsarXiv
Nonadiabatic Exciton Dynamics and Energy Gradients in the Framework of FMO-LC-TDDFTB.39051619 · Einsele, Richard, Mitrić, Roland2024 · 8 citationsJournal of chemical theory and computation. 2024;20(15):6587-6603
Onset of spin entanglement in doped carbon nanotubes studied by EPR.38884403 · Sperlich, Andreas, Eckstein, Klaus H, Oberndorfer, Florian et al.2024 · 2 citationsThe Journal of chemical physics. 2024;160(23)
Full Electron Delocalization across the Cluster in 1,12-bisBMes2-p-carborane Radical Anion.38850552 · Wu, Lin, Zhang, Xinning, Moos, Michael et al.2024 · 20 citationsJournal of the American Chemical Society. 2024;146(26):17956-17963
Nonadiabatic excited-state dynamics and energy gradients in the framework of FMO-LC-TDDFTB2404.14174v1 · Richard Einsele, Roland Mitri'c2024 · 0 citationsarXiv
A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone.38526800 · Miao, Xincheng, Diemer, Kira, Mitrić, Roland2024 · 13 citationsThe Journal of chemical physics. 2024;160(12)
The Electronic Structures of Azaphenanthrenes and Their Dimers.38345912 · Sturm, F, Philipp, L N, Flock, M et al.2024 · 8 citationsThe journal of physical chemistry. A. 2024;128(7):1250-1259
Conformational preferences of modified nucleobases in RNA aptamers and their effect on Förster resonant energy transfer.38054366 · Fischermeier, David, Steinmetzger, Christian, Höbartner, Claudia et al.2023 · 2 citationsPhysical chemistry chemical physics : PCCP. 2023;26(1):241-248
Simulation of exciton spectra in disordered supramolecular polymers: exciton localization in cisoid indolenine squaraine hexamers.38055887 · Fischermeier, David, Turkin, Arthur, Selby, Joshua et al.2023 · 1 citationPhysical chemistry chemical physics : PCCP. 2023;26(1):219-229
Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation.38108487 · Wenzel, Michael, Mitric, Roland2023 · 6 citationsThe Journal of chemical physics. 2023;159(23)
HORTENSIA, a program package for the simulation of nonadiabatic autoionization dynamics in molecules.37787145 · Issler, Kevin, Mitrić, Roland, Petersen, Jens2023 · 1 citationThe Journal of chemical physics. 2023;159(13)
Chiroptical Properties of Planar Benzobisthiazole-Bridged Squaraine Dimers.37487529 · Freytag, Emely, Kreimendahl, Lasse, Holzapfel, Marco et al.2023 · 12 citationsThe Journal of organic chemistry. 2023;88(15):10777-10788
Time-resolved photoelectron spectroscopy of 4-(dimethylamino)benzethyne - an experimental and computational study.36976260 · Issler, Kevin, Sturm, Floriane, Petersen, Jens et al.2023 · 2 citationsPhysical chemistry chemical physics : PCCP. 2023;25(14):9837-9845
Ultrafast Ring Closure Reaction of Gaseous cis-Stilbene from S1(ππ*).36745770 · Karashima, Shutaro, Miao, Xincheng, Kanayama, Akio et al.2023 · 19 citationsJournal of the American Chemical Society. 2023;145(6):3283-3288
Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems.36725509 · Einsele, Richard, Hoche, Joscha, Mitrić, Roland2023 · 12 citationsThe Journal of chemical physics. 2023;158(4):044121
Quantum-classical dynamics of vibration-induced autoionization in molecules.36681633 · Issler, Kevin, Mitrić, Roland, Petersen, Jens2023 · 5 citationsThe Journal of chemical physics. 2023;158(3):034107
Internal conversion rates from the extended thawed Gaussian approximation: Theory and validation.36681643 · Wenzel, Michael, Mitric, Roland2023 · 12 citationsThe Journal of chemical physics. 2023;158(3):034105
Stacking Is Favored over Hydrogen Bonding in Azaphenanthrene Dimers.36135713 · Miao, Xincheng, Preitschopf, Tobias, Sturm, Floriane et al.2022 · 5 citationsThe journal of physical chemistry letters. 2022;13(38):8939-8944
(De)localization dynamics of molecular excitons: comparison of mixed quantum-classical and fully quantum treatments.35506999 · Titov, Evgenii, Kopp, Tristan, Hoche, Joscha et al.2022 · 10 citationsPhysical chemistry chemical physics : PCCP. 2022;24(20):12136-12148
Transforming Dyes into Fluorophores: Exciton-Induced Emission with Chain-like Oligo-BODIPY Superstructures.35244983 · Patalag, Lukas J, Hoche, Joscha, Mitric, Roland et al.2024 · 43 citationsAngewandte Chemie (International ed. in English). 2022;61(22):e202116834
Real-time observation of photoionization-induced water migration dynamics in 4-methylformanilide-water by picosecond time-resolved infrared spectroscopy and ab initio molecular dynamics simulations.34633007 · Miyazaki, Mitsuhiko, Kamiya, Tairiku, Wohlgemuth, Matthias et al.2021 · 9 citationsPhysical chemistry chemical physics : PCCP. 2021;24(1):73-85
The Role of Molecular Arrangement on the Dispersion in Strongly Coupled Metal-Organic Hybrid Structures2111.09185v2 · Maximilian Rodel, Polina Lisinetskaya, Maximilian Rudloff et al.2021 · 9 citationsarXiv
Excimer formation dynamics in the isolated tetracene dimer.34667562 · Hoche, Joscha, Flock, Marco, Miao, Xincheng et al.2021 · 24 citationsChemical science. 2021;12(36):11965-11975
Electronic relaxation of aqueous aminoazobenzenes studied by time-resolved photoelectron spectroscopy and surface hopping TDDFT dynamics calculations.33586720 · Titov, Evgenii, Hummert, Johan, Ikonnikov, Evgenii et al.2021 · 11 citationsFaraday discussions. 2021;228(0):226-241
Ultrafast Ring-Opening Reaction of 1,3-Cyclohexadiene: Identification of Nonadiabatic Pathway via Doubly Excited State.34027664 · Karashima, Shutaro, Humeniuk, Alexander, Uenishi, Ryuta et al.2021 · 44 citationsJournal of the American Chemical Society. 2021;143(21):8034-8045
Solvent Induced Helix Folding of Defined Indolenine Squaraine Oligomers.33871113 · Turkin, Arthur, Holzapfel, Marco, Agarwal, Mohit et al.2021 · 7 citationsChemistry (Weinheim an der Bergstrasse, Germany). 2021;27(32):8380-8389
On the quantum and classical control of laser-driven isomerization in the Wigner representation.34241051 · Petersen, Jens, Einsele, Richard, Mitrić, Roland2021 · 2 citationsThe Journal of chemical physics. 2021;154(17):174103
Ultrafast Resonance Energy Transfer in Ethylene-Bridged BODIPY Heterooligomers: From Frenkel to Förster Coupling Limit.33956430 · Patalag, Lukas J, Hoche, Joscha, Holzapfel, Marco et al.2021 · 53 citationsJournal of the American Chemical Society. 2021;143(19):7414-7425
Ultrafast Energy Transfer Dynamics in a Squaraine Heterotriad.33739846 · Lambert, Christoph, Hoche, Joscha, Schreck, Maximilian H et al.2021 · 5 citationsThe journal of physical chemistry. A. 2021;125(12):2504-2511
Size Dependence of Non-Radiative Decay Rates in J-Aggregates.33245238 · Humeniuk, Alexander, Mitrić, Roland, Bonačić-Koutecký, Vlasta2020 · 23 citationsThe journal of physical chemistry. A. 2020;124(49):10143-10151
The Optical Spectrum of Au2.32888257 · Förstel, Marko, Pollow, Kai Mario, Saroukh, Karim et al.2024 · 16 citationsAngewandte Chemie (International ed. in English). 2020;59(48):21403-21408
Correlating Nanoscale Optical Coherence Length and Microscale Topography in Organic Materials by Coherent Two-Dimensional Microspectroscopy.32786935 · Li, Donghai, Titov, Evgenii, Roedel, Maximilian et al.2020 · 10 citationsNano letters. 2020;20(9):6452-6458
Direct observation of o-benzyne formation in photochemical hexadehydro-Diels-Alder (hν-HDDA) reactions.34123168 · Ma, Xiaonan, Maier, Jan, Wenzel, Michael et al.2021 · 13 citationsChemical science. 2020;11(34):9198-9208
Do Xylylenes Isomerize in Pyrolysis?32501625 · Hirsch, Florian, Pachner, Kai, Fischer, Ingo et al.2020 · 7 citationsChemphyschem : a European journal of chemical physics and physical chemistry. 2020;21(14):1515-1518
Excitation energy transport in DNA modelled by multi-chromophoric field-induced surface hopping.32515444 · Wohlgemuth, Matthias, Mitrić, Roland2020 · 16 citationsPhysical chemistry chemical physics : PCCP. 2020;22(29):16536-16551
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