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Mátyás Pápai
Mátyás Pápai
Senior researcher, Wigner Research Centre for Physics
Verified email at wigner.hu
Title
Cited by
Cited by
Year
Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses
SE Canton, KS Kjær, G Vankó, TB Van Driel, S Adachi, A Bordage, ...
Nature Communications 6 (1), 1-10, 2015
1652015
Exceptional excited-state lifetime of an iron (II)–N-heterocyclic carbene complex explained
LA Fredin, M Papai, E Rozsalyi, G Vankó, K Warnmark, V Sundstrom, ...
Journal of Physical Chemistry Letters 5 (12), 2066-2071, 2014
1612014
Theoretical investigation of the electronic structure of Fe (II) complexes at spin-state transitions
M Papai, G Vankó, C De Graaf, T Rozgonyi
Journal of Chemical Theory and Computation 9 (1), 509-519, 2013
1052013
Femtosecond x-ray scattering study of ultrafast photoinduced structural dynamics in solvated [Co (terpy) 2] 2+
E Biasin, TB van Driel, KS Kjær, AO Dohn, M Christensen, T Harlang, ...
Physical Review Letters 117 (1), 013002, 2016
1042016
Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy
KS Kjær, TB Van Driel, TCB Harlang, K Kunnus, E Biasin, K Ledbetter, ...
Chemical Science 10 (22), 5749-5760, 2019
972019
Observing solvation dynamics with simultaneous femtosecond X-ray emission spectroscopy and X-ray scattering
K Haldrup, W Gawelda, R Abela, R Alonso-Mori, U Bergmann, A Bordage, ...
Journal of Physical Chemistry B 120 (6), 1158-1168, 2016
952016
Detailed characterization of a nanosecond-lived excited state: X-ray and theoretical investigation of the quintet state in photoexcited [Fe (terpy) 2] 2+
G Vanko, A Bordage, M Pápai, K Haldrup, P Glatzel, AM March, G Doumy, ...
Journal of Physical Chemistry C 119 (11), 5888-5902, 2015
882015
Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering
K Kunnus, M Vacher, TCB Harlang, KS Kjær, K Haldrup, E Biasin, ...
Nature Communications 11 (1), 1-11, 2020
832020
High-efficiency iron photosensitizer explained with quantum wavepacket dynamics
M Pápai, G Vankó, T Rozgonyi, TJ Penfold
Journal of Physical Chemistry Letters 7 (11), 2009-2014, 2016
762016
On Predicting Mössbauer Parameters of Iron-Containing Molecules with Density-Functional Theory
M Pápai, G Vankó
Journal of Chemical Theory and Computation 9 (11), 5004-5020, 2013
712013
Toward highlighting the ultrafast electron transfer dynamics at the optically dark sites of photocatalysts
SE Canton, X Zhang, J Zhang, TB van Driel, KS Kjaer, K Haldrup, ...
Journal of Physical Chemistry Letters 4 (11), 1972-1976, 2013
582013
Feasibility of valence-to-core x-ray emission spectroscopy for tracking transient species
AM March, TA Assefa, C Bressler, G Doumy, A Galler, W Gawelda, ...
Journal of Physical Chemistry C 119 (26), 14571-14578, 2015
542015
Solution structure and ultrafast vibrational relaxation of the PtPOP complex revealed by ΔSCF-QM/MM direct dynamics simulations
G Levi, M Pápai, NE Henriksen, AO Dohn, KB Møller
Journal of Physical Chemistry C 122 (13), 7100-7119, 2018
522018
Effect of tert-butyl functionalization on the photoexcited decay of a Fe (II)-N-heterocyclic carbene complex
M Pápai, TJ Penfold, KB Møller
Journal of Physical Chemistry C 120 (31), 17234-17241, 2016
402016
X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation
V Scutelnic, S Tsuru, M Pápai, Z Yang, M Epshtein, T Xue, E Haugen, ...
Nature Communications 12 (1), 1-8, 2021
392021
Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations
S Tsuru, ML Vidal, M Pápai, AI Krylov, KB Møller, S Coriani
Journal of Chemical Physics 151 (12), 124114, 2019
342019
Probing transient valence orbital changes with picosecond valence-to-core X-ray emission spectroscopy
AM March, TA Assefa, C Boemer, C Bressler, A Britz, M Diez, G Doumy, ...
Journal of Physical Chemistry C 121 (5), 2620-2626, 2017
332017
Using ultrafast X-ray spectroscopy to address questions in ligand-field theory: The excited state spin and structure of [Fe (dcpp) 2] 2+
A Britz, W Gawelda, TA Assefa, LL Jamula, JT Yarranton, A Galler, ...
Inorganic Chemistry 58 (14), 9341-9350, 2019
322019
Theoretical evidence of solvent-mediated excited-state dynamics in a functionalized iron sensitizer
M Pápai, M Abedi, G Levi, E Biasin, MM Nielsen, KB Møller
Journal of Physical Chemistry C 123 (4), 2056-2065, 2019
292019
An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy
S Tsuru, ML Vidal, M Pápai, AI Krylov, KB Møller, S Coriani
Structural Dynamics 8 (2), 2021
222021
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