Publikationen pro Jahr
Publikationen pro Jahr
- 1 – 50 von 251 Ergebnissen
Suchergebnisse
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2020
Control of Excited-State Proton-Coupled Electron Transfer by Ultrafast Pump-Push-Probe Spectroscopy in Heptazine-Phenol Complexes: Implications for Photochemical Water Oxidation
Corp, K. L., Rabe, E. J., Huang, X., Ehrmaier, J., Kaiser, M. E., Sobolewski, A. L., Domcke, W. & Schlenker, C. W., 30 Apr. 2020, in: Journal of Physical Chemistry C. 124, 17, S. 9151-9160 10 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access19 Zitate (Scopus) -
Effects of high pulse intensity and chirp in two-dimensional electronic spectroscopy of an atomic vapor
Binz, M., Bruder, L., Chen, L., Gelin, M. F., Domcke, W. & Stienkemeier, F., 31 Aug. 2020, in: Optics Express. 28, 18, S. 25806-25829 24 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access14 Zitate (Scopus) -
First-principles study of large-amplitude dynamic Jahn-Teller effects in vanadium tetrafluoride
Nandipati, K. R., Vasilyev, O. A., Navarkin, I. S., Solomonik, V. G. & Domcke, W., 7 März 2020, in: Journal of Chemical Physics. 152, 9, 094304.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
6 Zitate (Scopus) -
Molecular Design of Heptazine-Based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability
Ehrmaier, J., Huang, X., Rabe, E. J., Corp, K. L., Schlenker, C. W., Sobolewski, A. L. & Domcke, W., 14 Mai 2020, in: Journal of Physical Chemistry A. 124, 19, S. 3698-3710 13 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
22 Zitate (Scopus) -
Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study
Sun, K., Xie, W., Chen, L., Domcke, W. & Gelin, M. F., 7 Nov. 2020, in: Journal of Chemical Physics. 153, 17, 174111.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
31 Zitate (Scopus) -
Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study
Huang, X., Aranguren, J. P., Ehrmaier, J., Noble, J. A., Xie, W., Sobolewski, A. L., Dedonder-Lardeux, C., Jouvet, C. & Domcke, W., 14 Juni 2020, in: Physical Chemistry Chemical Physics. 22, 22, S. 12502-12514 13 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access15 Zitate (Scopus) -
Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry
Domcke, W., Sobolewski, A. L. & Schlenker, C. W., 14 Sept. 2020, in: Journal of Chemical Physics. 153, 10, 100902.Publikation: Beitrag in Fachzeitschrift › Übersichtsartikel › Begutachtung
Open Access18 Zitate (Scopus) -
Tracking both ultrafast electrons and nuclei
Domcke, W. & Sobolewski, A. L., 22 Mai 2020, in: Science. 368, 6493, S. 820-821 2 S.Publikation: Beitrag in Fachzeitschrift › Kurzer Abriss › Begutachtung
3 Zitate (Scopus) -
2019
Analysis of transient-absorption pump-probe signals of nonadiabatic dissipative systems: "ideal" and "real" spectra
Palacino-González, E., Gelin, M. F. & Domcke, W., 28 Mai 2019, in: Journal of Chemical Physics. 150, 20, 204102.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
20 Zitate (Scopus) -
Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine
Xie, W., Sapunar, M., Došlic, N., Sala, M. & Domcke, W., 21 Apr. 2019, in: Journal of Chemical Physics. 150, 15, 154119.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access53 Zitate (Scopus) -
Barrierless Heptazine-Driven Excited State Proton-Coupled Electron Transfer: Implications for Controlling Photochemistry of Carbon Nitrides and Aza-Arenes
Rabe, E. J., Corp, K. L., Huang, X., Ehrmaier, J., Flores, R. G., Estes, S. L., Sobolewski, A. L., Domcke, W. & Schlenker, C. W., 12 Dez. 2019, in: Journal of Physical Chemistry C. 123, 49, S. 29580-29588 9 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
22 Zitate (Scopus) -
Beyond artificial photosynthesis: General discussion
Abe, R., Bajada, M., Beller, M., Bocarsly, A. B., Butt, J. N., Cassiola, F., Domcke, W., Durrant, J. R., Gavrielides, S., Grätzel, M., Hammarström, L., Hatzell, M. C., König, B., Kudo, A., Kuehnel, M. F., Lage, A., Lee, C. Y., Maneiro, M., Minteer, S. D. & Paris, A. R. &11 mehr, , 2019, in: Faraday Discussions. 215, S. 422-438 17 S.Publikation: Beitrag in Fachzeitschrift › Kommentar/Debatte
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Mapping of Wave Packet Dynamics at Conical Intersections by Time- And Frequency-Resolved Fluorescence Spectroscopy: A Computational Study
Chen, L., Gelin, M. F., Zhao, Y. & Domcke, W., 3 Okt. 2019, in: Journal of Physical Chemistry Letters. 10, 19, S. 5873-5880 8 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access24 Zitate (Scopus) -
Mechanisms of photoreactivity in hydrogen-bonded adenine-H2O complexes
Wu, X., Ehrmaier, J., Sobolewski, A. L., Karsili, T. N. V. & Domcke, W., 2019, in: Physical Chemistry Chemical Physics. 21, 26, S. 14238-14249 12 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
9 Zitate (Scopus) -
Monitoring of nonadiabatic effects in individual chromophores by femtosecond double-pump single-molecule spectroscopy: A model study
Gelin, M. F., Palacino-González, E., Chen, L. & Domcke, W., 2019, in: Molecules. 24, 2, molecules24020231.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access4 Zitate (Scopus) -
Multimode quantum dynamics with multiple Davydov D2 trial states: Application to a 24-dimensional conical intersection model
Chen, L., Gelin, M. F. & Domcke, W., 14 Jan. 2019, in: Journal of Chemical Physics. 150, 2, 024101.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
33 Zitate (Scopus) -
Orientational relaxation of a quantum linear rotor in a dissipative environment: Simulations with the hierarchical equations-of-motion method
Chen, L., Gelin, M. F. & Domcke, W., 21 Juli 2019, in: Journal of Chemical Physics. 151, 3, 034101.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
5 Zitate (Scopus) -
Origin of Unexpectedly Simple Oscillatory Responses in the Excited-State Dynamics of Disordered Molecular Aggregates
Gelin, M. F., Borrelli, R. & Domcke, W., 6 Juni 2019, in: Journal of Physical Chemistry Letters. 10, 11, S. 2806-2810 5 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access22 Zitate (Scopus) -
Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: Nonadiabatic dynamics studies for pyridine-water clusters
Pang, X., Jiang, C., Xie, W. & Domcke, W., 2019, in: Physical Chemistry Chemical Physics. 21, 26, S. 14073-14079 7 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access28 Zitate (Scopus) -
Role of the Pyridinyl Radical in the Light-Driven Reduction of Carbon Dioxide: A First-Principles Study
Ehrmaier, J., Sobolewski, A. L. & Domcke, W., 2 Mai 2019, in: Journal of Physical Chemistry A. 123, 17, S. 3678-3684 7 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
4 Zitate (Scopus) -
Singlet-Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides
Ehrmaier, J., Rabe, E. J., Pristash, S. R., Corp, K. L., Schlenker, C. W., Sobolewski, A. L. & Domcke, W., 30 Juni 2019, in: Journal of Physical Chemistry A. S. 8099-8108 10 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
100 Zitate (Scopus) -
Solar Energy Harvesting with Carbon Nitrides and N-Heterocyclic Frameworks: Do We Understand the Mechanism?
Domcke, W., Ehrmaier, J. & Sobolewski, A. L., 1 Jan. 2019, in: ChemPhotoChem. 3, 1, S. 10-23 14 S.Publikation: Beitrag in Fachzeitschrift › Übersichtsartikel › Begutachtung
Open Access31 Zitate (Scopus) -
Spin-orbit vibronic coupling in Π 4 states of linear triatomic molecules
Poluyanov, L. V., Domcke, W. & Mishra, S., 7 Okt. 2019, in: Journal of Chemical Physics. 151, 13, 134103.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
1 Zitat (Scopus) -
Synthetic approaches to artificial photosynthesis: General discussion
Aitchison, C. M., Andrei, V., Antón-García, D., Apfel, U. P., Badiani, V., Beller, M., Bocarsly, A. B., Bonnet, S., Brueggeller, P., Caputo, C. A., Cassiola, F., Clausing, S. T., Cooper, A. I., Creissen, C. E., De La Peña O'Shea, V. A., Domcke, W., Durrant, J. R., Grätzel, M., Hammarström, L. & Hankin, A. &29 mehr, , 2019, in: Faraday Discussions. 215, S. 242-281 40 S.Publikation: Beitrag in Fachzeitschrift › Kommentar/Debatte
Open Access5 Zitate (Scopus) -
UV absorption spectra of DNA bases in the 350-190 nm range: Assignment and state specific analysis of solvation effects
Sapunar, M., Domcke, W. & Došlić, N., 2019, in: Physical Chemistry Chemical Physics. 21, 41, S. 22782-22793 12 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
14 Zitate (Scopus) -
2018
Enhanced S2 Fluorescence from a Free-Base Tetraphenylporphyrin Surface-Mounted Metal Organic Framework
Li, X., Gurzadyan, G. G., Gelin, M. F., Domcke, W., Gong, C., Liu, J. & Sun, L., 18 Okt. 2018, in: Journal of Physical Chemistry C. 122, 41, S. 23321-23328 8 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
13 Zitate (Scopus) -
Mechanism of Photocatalytic Water Oxidation by Graphitic Carbon Nitride
Ehrmaier, J., Domcke, W. & Opalka, D., 16 Aug. 2018, in: Journal of Physical Chemistry Letters. 9, 16, S. 4695-4699 5 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
25 Zitate (Scopus) -
Mechanism of photocatalytic water splitting with triazine-based carbon nitrides: Insights from: Ab initio calculations for the triazine-water complex
Ehrmaier, J., Janicki, M. J., Sobolewski, A. L. & Domcke, W., 2018, in: Physical Chemistry Chemical Physics. 20, 21, S. 14420-14430 11 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
34 Zitate (Scopus) -
Photoinduced hydrogen-transfer reactions in pyridine-water clusters: Insights from excited-state electronic-structure calculations
Pang, X., Ehrmaier, J., Wu, X., Jiang, C., Xie, W., Sobolewski, A. L. & Domcke, W., 14 Nov. 2018, in: Chemical Physics. 515, S. 550-556 7 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
9 Zitate (Scopus) -
Proton-Coupled Electron Transfer from Water to a Model Heptazine-Based Molecular Photocatalyst
Rabe, E. J., Corp, K. L., Sobolewski, A. L., Domcke, W. & Schlenker, C. W., 1 Nov. 2018, in: Journal of Physical Chemistry Letters. 9, 21, S. 6257-6261 5 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
55 Zitate (Scopus) -
Simulation of Femtosecond Phase-Locked Double-Pump Signals of Individual Light-Harvesting Complexes LH2
Chen, L., Gelin, M. F., Domcke, W. & Zhao, Y., 16 Aug. 2018, in: Journal of Physical Chemistry Letters. 9, 16, S. 4488-4494 7 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access9 Zitate (Scopus) -
2017
Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol
Xie, W. & Domcke, W., 14 Nov. 2017, in: Journal of Chemical Physics. 147, 18, 184114.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
47 Zitate (Scopus) -
Efficient orientational averaging of nonlinear optical signals in multi-chromophore systems
Gelin, M. F., Borrelli, R. & Domcke, W., 28 Juli 2017, in: Journal of Chemical Physics. 147, 4, 044114.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access13 Zitate (Scopus) -
Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine-Water Complex
Ehrmaier, J., Karsili, T. N. V., Sobolewski, A. L. & Domcke, W., 29 Juni 2017, in: Journal of Physical Chemistry A. 121, 25, S. 4754-4764 11 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
88 Zitate (Scopus) -
Nonperturbative response functions: A tool for the interpretation of four-wave-mixing signals beyond third order
Chen, L., Palacino-González, E., Gelin, M. F. & Domcke, W., 21 Dez. 2017, in: Journal of Chemical Physics. 147, 23, 234104.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
11 Zitate (Scopus) -
Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations
Ehrmaier, J., Picconi, D., Karsili, T. N. V. & Domcke, W., 28 März 2017, in: Journal of Chemical Physics. 146, 12, S. 124304 1 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
19 Zitate (Scopus) -
Resonant femtosecond stimulated Raman spectroscopy with an intense actinic pump pulse: Application to conical intersections
Rao, B. J., Gelin, M. F. & Domcke, W., 28 Feb. 2017, in: Journal of Chemical Physics. 146, 8, 084105.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
7 Zitate (Scopus) -
Role of Electron-Driven Proton-Transfer Processes in the Ultrafast Deactivation of Photoexcited Anionic 8-oxoGuanine-Adenine and 8-oxoGuanine-Cytosine Base Pairs
Wu, X., Karsili, T. N. V. & Domcke, W., Jan. 2017, in: Molecules. 22, 1, 135.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access11 Zitate (Scopus) -
Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. I. Weak-field regime
Palacino-González, E., Gelin, M. F. & Domcke, W., 2017, in: Physical Chemistry Chemical Physics. 19, 48, S. 32296-32306 11 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
14 Zitate (Scopus) -
Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. II. Strong-field regime
Palacino-González, E., Gelin, M. F. & Domcke, W., 2017, in: Physical Chemistry Chemical Physics. 19, 48, S. 32307-32319 13 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
13 Zitate (Scopus) -
2016
A 'bottom up', Ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs
Marchetti, B., Karsili, T. N. V., Ashfold, M. N. R. & Domcke, W., 2016, in: Physical Chemistry Chemical Physics. 18, 30, S. 20007-20027 21 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access80 Zitate (Scopus) -
Alternative view of two-dimensional spectroscopy
Gelin, M. F. & Domcke, W., 21 Mai 2016, in: Journal of Chemical Physics. 144, 19, 194104.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
13 Zitate (Scopus) -
Attosecond processes and X-ray spectroscopy: General discussion
Milne, C. J., Weber, P. M., Kowalewski, M., Marangos, J. P., Johnson, A. S., Forbes, R., Wörner, H. J., Rolles, D., Townsend, D., Schalk, O., Mai, S., Vacher, M., Miller, R. J. D., Centurion, M., Vibók, Á., Domcke, W., Cireasa, R., Ueda, K., Bencivenga, F. & Neumark, D. M. &14 mehr, , 2016, in: Faraday Discussions. 194, S. 427-462 36 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
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Conical-Intersection Topographies Suggest That Ribose Exhibits Enhanced UV Photostability
Tuna, D., Sobolewski, A. L. & Domcke, W., 20 Okt. 2016, in: Journal of Physical Chemistry B. 120, 41, S. 10729-10735 7 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
13 Zitate (Scopus) -
Dissipative dynamics at conical intersections: Simulations with the hierarchy equations of motion method
Chen, L., Gelin, M. F., Chernyak, V. Y., Domcke, W. & Zhao, Y., 2016, in: Faraday Discussions. 194, S. 61-80 20 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access44 Zitate (Scopus) -
Electronic and non-adiabatic dynamics: General discussion
Orr-Ewing, A. J., Verlet, J. R. R., Penfold, T. J., Minns, R. S., Minitti, M. P., Sølling, T. I., Schalk, O., Kowalewski, M., Marangos, J. P., Robb, M. A., Johnson, A. S., Wörner, H. J., Shalashilin, D. V., Miller, R. J. D., Domcke, W., Ueda, K., Weber, P. M., Cireasa, R., Vacher, M. & Roberts, G. M. &18 mehr, , 2016, in: Faraday Discussions. 194, S. 209-257 49 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access3 Zitate (Scopus) -
Excited-State Deactivation of Adenine by Electron-Driven Proton-Transfer Reactions in Adenine-Water Clusters: A Computational Study
Wu, X., Karsili, T. N. V. & Domcke, W., 4 Mai 2016, in: ChemPhysChem. 17, 9, S. 1298-1304 7 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access19 Zitate (Scopus) -
Femtosecond stimulated Raman spectroscopy as a tool to detect molecular vibrations in ground and excited electronic states
Gelin, M. F., Domcke, W. & Rao, B. J., 14 Mai 2016, in: Journal of Chemical Physics. 144, 18, 184307.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
5 Zitate (Scopus) -
Onset of the Electronic Absorption Spectra of Isolated and π-Stacked Oligomers of 5,6-Dihydroxyindole: An Ab Initio Study of the Building Blocks of Eumelanin
Tuna, D., Udvarhelyi, A., Sobolewski, A. L., Domcke, W. & Domratcheva, T., 28 Apr. 2016, in: Journal of Physical Chemistry B. 120, 14, S. 3493-3502 10 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
36 Zitate (Scopus) -
Photocatalytic water splitting with acridine dyes: Guidelines from computational chemistry
Liu, X., Karsili, T. N. V., Sobolewski, A. L. & Domcke, W., 13 Jan. 2016, in: Chemical Physics. 464, S. 78-85 8 S.Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung
Open Access10 Zitate (Scopus)