Mátyás Pápai
Mátyás Pápai
Email verificata su kemi.dtu.dk
Titolo
Citata da
Citata da
Anno
Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses
SE Canton, KS Kjćr, G Vankó, TB Van Driel, S Adachi, A Bordage, ...
Nature communications 6 (1), 1-10, 2015
1122015
Exceptional Excited-State Lifetime of an Iron(II)–N-Heterocyclic Carbene Complex Explained
LA Fredin, M Pápai, E Rozsalyi, G Vankó, K Wärnmark, V Sundström, ...
The journal of physical chemistry letters 5 (12), 2066-2071, 2014
1082014
Theoretical investigation of the electronic structure of Fe (II) complexes at spin-state transitions
M Pápai, G Vankó, C De Graaf, T Rozgonyi
Journal of chemical theory and computation 9 (1), 509-519, 2013
752013
Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated
E Biasin, TB Van Driel, KS Kjćr, AO Dohn, M Christensen, T Harlang, ...
Physical review letters 117 (1), 013002, 2016
652016
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, ...
The Journal of Physical Chemistry C 119 (11), 5888-5902, 2015
642015
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, ...
The journal of physical chemistry B 120 (6), 1158-1168, 2016
632016
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, ...
The journal of physical chemistry letters 4 (11), 1972-1976, 2013
462013
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
442013
High-efficiency iron photosensitizer explained with quantum wavepacket dynamics
M Pápai, G Vankó, T Rozgonyi, TJ Penfold
The Journal of Physical Chemistry Letters 7 (11), 2009-2014, 2016
422016
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, ...
The Journal of Physical Chemistry C 119 (26), 14571-14578, 2015
372015
Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy
KS Kjćr, TB Van Driel, TCB Harlang, K Kunnus, E Biasin, K Ledbetter, ...
Chemical science 10 (22), 5749-5760, 2019
272019
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 Mřller
The Journal of Physical Chemistry C 122 (13), 7100-7119, 2018
272018
Effect of tert-Butyl Functionalization on the Photoexcited Decay of a Fe(II)-N-Heterocyclic Carbene Complex
M Pápai, TJ Penfold, KB Mřller
The Journal of Physical Chemistry C 120 (31), 17234-17241, 2016
262016
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, ...
The Journal of Physical Chemistry C 121 (5), 2620-2626, 2017
162017
Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering
K Kunnus, M Vacher, TCB Harlang, KS Kjćr, K Haldrup, E Biasin, ...
Nature communications 11 (1), 1-11, 2020
122020
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 Mřller, S Coriani
The Journal of Chemical Physics 151 (12), 124114, 2019
122019
Probing spin–vibronic dynamics using femtosecond X-ray spectroscopy
TJ Penfold, M Pápai, T Rozgonyi, KB Mřller, G Vankó
Faraday discussions 194, 731-746, 2016
112016
Theoretical evidence of solvent-mediated excited-state dynamics in a functionalized iron sensitizer
M Pápai, M Abedi, G Levi, E Biasin, MM Nielsen, KB Mřller
The Journal of Physical Chemistry C 123 (4), 2056-2065, 2019
102019
Watching the dynamics of electrons and atoms at work in solar energy conversion
SE Canton, X Zhang, Y Liu, J Zhang, M Papai, A Corani, AL Smeigh, ...
Faraday Discussions 185, 51-68, 2015
102015
Excited state dynamics initiated by an electromagnetic field within the Variational Multi-Configurational Gaussian (vMCG) method
TJ Penfold, M Pápai, KB Mřller, GA Worth
Computational and Theoretical Chemistry 1160, 24-30, 2019
82019
Il sistema al momento non puň eseguire l'operazione. Riprova piů tardi.
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