3.1 Dynamics of Condensed Phase Molecular Systems

Project coordinators: E. T. J. Nibbering, O. Kornilov

Publications

2021

A2-P-2020.09
Electronic relaxation of aqueous aminoazobenzenes studied by time-resolved photoelectron spectroscopy and surface hopping TDDFT dynamics calculations

E. Titov, H. Hummert, E. Ikonnikov, R. Mitri´c, O. Kornilov

Faraday Discussions 228 (2021) 226-241

URL, DOI oder PDF

C1-P-2021.01
Phosphate vibrations probe electric fields in hydrated biomolecules: spectroscopy, dynamics, and interactions

T. Elsaesser, J. Schauss, A. Kundu, B. P. Fingerhut

Journal of Physical Chemistry B 125 (2021) 3899-3908

URL, DOI oder PDF

C1-P-2021.02
Highly efficient soft x-ray spectrometer for transient absorption spectroscopy with broadband table-top high harmonic sources

C. Kleine, M. Ekimova, M.-O. Winghart, S. Eckert, O. Reichel, H. Löchel, J. Probst, C. Braig, C. Seifert, A. Erko, A. Sokolov, M. J. J. Vrakking, E. T. J. Nibbering, A. Rouzée

Structural Dynamics 8 (2021) 034302/1-6

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C1-P-2020.03
Shot noise limited soft x-ray absorption spectroscopy in solution at a SASE-FEL using a transmission grating beam splitter

R. Y. Engel, M. Ekimova, P. S. Miedema, C. Kleine, J. Ludwig, M. Ochmann, B. Grimm-Lebsanft, R. Ma, M. Teubner, S. Dziarzhytski, G. Brenner, M.-K. Czwalinna, B. Rösner, T. Kyu Kim, C. David, S. Herres-Pawlis, M. Rübhausen, E. T. J. Nibbering, N. Huse, M. Beye

Structural Dynamics 8 (2021) 014303 /1-10

URL, DOI oder PDF

A2-P-2021.03
Time-resolved ultrafast spectroscopy: general discussion

M. Ashfold, M. Chergui, I. Fischer, L. Ge, G. Grell, M. Ivanov, A. Kirrander, O. Kornilov, S. R. Krishnan, J. Küpper, C. Kuttner, V. Makhija, F. Martín, S. Matsika, R. S. Minns, A. Natan, D. M. Neumark, A. Palacios, S. Pratt, A. Röder, J. M. Rost, M. Ruberti, A. Stolow, E. Titov, L. Young

Faraday Discussions 228 (2021) 329-348

URL, DOI oder PDF

C1-P-2020.04
Magnesium contact ions stabilize the tertiary structure of transfer RNA: electrostatics mapped by two-dimensional infrared spectra and theoretical simulations

J. Schauss, A. Kundu, B. P. Fingerhut, T. Elsaesser

Journal of Physical Chemistry B 125 (2021) 740-747

URL, DOI oder PDF

C1-P-2021.03
Contact pairs of RNA with magnesium ions - electrostatics beyond the Poisson-Boltzmann equation

B. P. Fingerhut, J. Schauss, A. Kundu, T. Elsaesser

Biophysical Journal Online (2021)

URL, DOI oder PDF

C1-P-2020.05
Switching between proton vacancy and excess proton transfer pathways in the reaction between 7-hydroxyquinoline and formate

M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E. T. J. Nibbering

Journal of Physical Chemistry A 125 (2021) 1845–1859

URL, DOI oder PDF

2020

C1-P-2020.06
Impact of RNA melting on hydrating water structure mapped by femtosecond 2D-IR spectroscopy

B. P. Fingerhut, A. Kundu, J. Schauss, T. Elsaesser

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.M2A.1

URL, DOI oder PDF

C1-P-2020.07
Structural discrimination of phosphate contact ion pairs in water by femtosecond 2D-IR spectroscopy

A. Kundu, J. Schauss, B. P. Fingerhut, T. Elsaesser

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.M4B.9

URL, DOI oder PDF

T4-P-2020.05
Oscillatory dynamics of the spin-Boson model with ultrastrong interactions with the environment

A. Acharyya, M. Richter, B. P. Fingerhut

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.Tu4A.35

URL, DOI oder PDF

C1-P-2020.08
Switching between ultrafast proton vacancy and excess proton transfer along a methanol solvent bridge

M.-A. Codescu, O. Kornilov, E. T. J. Nibbering

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.M4B.13

URL, DOI oder PDF

C1-P-2020.09
Deciphering photoacidity by following electronic charge distribution changes along the photoacid Förster cycle with time-resolved nitrogen K-edge x-ray absorption spectroscopy

S. Eckert, M.-O. Winghart, C. Kleine, A. Banerjee, M. Ekimova, J. Ludwig, J. Harich, R. Mitzner, D. Aminov, D. Pines, E. Pines, N. Huse, P. Wernet, M. Odelius, E. T. J. Nibbering

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.Tu2A.6

URL, DOI oder PDF

C1-P-2019.08
Aqueous contact ion pairs of phosphate groups with Na+, Ca2+ and Mg2+ - structural discrimination by femtosecond infrared spectroscopy and molecular dynamics simulations

B. P. Fingerhut, J. Schauss, A. Kundu, T. Elsaesser

Zeitschrift für Physikalische Chemie 234 (2020) 1453-1474

URL, DOI oder PDF

C1-P-2019.09
Change of hydration patterns upon RNA melting probed by excitations of phosphate backbone vibrations

A. Kundu, J. Schauss, B. P. Fingerhut, T. Elsaesser

Journal of Physical Chemistry B 124 (2020) 2132-2138

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C1-P-2020.02
Vibronic dynamics of photodissociating ICN from simulations of ultrafast X-ray absorption spectroscopy

U. N. Morzan, P. E. Videla, M. B. Soley, E. T. J. Nibbering, V. S. Batista

Angewandte Chemie-International Edition 59 (2020) 20044–20048

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A2-P-2020.04
Retrieving intracycle interference in angle-resolved laser-assisted photoemission from argon

J. Hummert, M. Kubin, S. López, J. I. Fuks, F. Morales, M. J. J. Vrakking, O. Kornilov, D. G. Arbo

Journal of Physics B: Atomic, Molecular and Optical Physics 53 (2020) 154003/1-8

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2019

C1-P-2019.07
Water hydrogen-bonding structure and dynamics near lipid multibilayer surface: Molecular dynamics simulation study with direct experimental comparison

E. Lee, A. Kundu, J. Jeon, M. Cho

Journal of Chemical Physics 151 (2019) 114705/1-10

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C1-P-2018.05
Ultrafast dynamics of hydrated excess protons in CH3CN:H2O mixtures

F. Dahms, A. Kundu, E. Pines, B. P. Fingerhut, E. T. J. Nibbering, T. Elsaesser

Ultrafast Phenomena XXI 205 EPJ Web of Conferences (2019) 09003/1-3

URL, DOI oder PDF

C1-P-2018.06
Interactions of RNA and water probed by 2D-IR spectroscopy

B. P. Fingerhut, E. M. Bruening, J. Schauss, T. Siebert, T. Elsaesser

Ultrafast Phenomena XXI 205 EPJ Web of Conferences (2019) 05007/1-3

URL, DOI oder PDF

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