Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Mirjam Falge"'
Publikováno v:
The Journal of Supercritical Fluids. 144:56-62
Real-time observation of green radiata pine sapwood specimens undergoing dewatering using a cyclical process in which supercritical CO2 changes to gas phase has been achieved using rapid interleaved 1H magnetic resonance imaging (MRI) and 13C nuclear
Autor:
Frank Würthner, Mirjam Falge, Volker Settels, Volker Engel, Alexander Schubert, Stefan Lochbrunner, Bernd Engels, Walter T. Strunz, Martin Kess
Publikováno v:
The Journal of Physical Chemistry A. 118:1403-1412
We present a model for the relaxation dynamics in perylene bisimide dimers, which is based on ab initio electronic structure and quantum dynamics calculations including effects of dissipation. The excited-state dynamics proceeds via a mixing of elect
Autor:
Bernhard Brutscher, Paul Schanda, Ewen Lescop, Jérôme Boisbouvier, Mirjam Falge, Remy Sounier
Publikováno v:
Journal of Biomolecular NMR
Journal of Biomolecular NMR, 2007, 38 (1), pp.47-55. ⟨10.1007/s10858-006-9138-2⟩
Journal of Biomolecular NMR, Springer Verlag, 2007, 38 (1), pp.47-55. ⟨10.1007/s10858-006-9138-2⟩
Journal of Biomolecular NMR, 2007, 38 (1), pp.47-55. ⟨10.1007/s10858-006-9138-2⟩
Journal of Biomolecular NMR, Springer Verlag, 2007, 38 (1), pp.47-55. ⟨10.1007/s10858-006-9138-2⟩
High signal to noise is a necessity for the quantification of NMR spectral parameters to be translated into accurate and precise restraints on protein structure and dynamics. An important source of long-range structural information is obtained from (
Autor:
Martin Keß, Julian Albert, Alexander Eisfeld, Pan-Pan Zhang, Volker Engel, Johannes Wehner, Mirjam Falge
Publikováno v:
The Journal of Chemical Physics
We calculate two-dimensional (2D) vibronic spectra for a model system involving two electronic molecular states. The influence of a bath is simulated using a quantum-jump approach. We use a method introduced by Makarov and Metiu [J. Chem. Phys. 111,
Publikováno v:
The Journal of chemical physics. 141(13)
We apply the quantum diffusion wavefunction approach to calculate vibronic two-dimensional (2D) spectra. As an example, we use a system consisting of two electronic states with harmonic oscillator potentials which are coupled to a bath and interact w
Publikováno v:
EPJ Web of Conferences, Vol 41, p 02036 (2013)
We study the effect of nuclear-electron coupling on time-resolved photo-electron spectra, employing a model system which allows to directly comparing spectra resulting from the adiabatic approximation with those obtained within a non-Born-Oppenheimer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf34edb445be9da2af69974ead0f0905
https://opus.bibliothek.uni-wuerzburg.de/files/12181/001_Falge_EPJ_Web_of_Conferences.pdf
https://opus.bibliothek.uni-wuerzburg.de/files/12181/001_Falge_EPJ_Web_of_Conferences.pdf
Autor:
Volker Engel, Patricia Vindel-Zandbergen, Bo Y. Chang, Mirjam Falge, Manfred Lein, Ignacio R. Sola
Publikováno v:
The journal of physical chemistry. A. 116(46)
Extending the Shin–Metiu two-electron Hamiltonian, we construct a new Hamiltonian with effective singlet–triplet couplings. The Born–Oppenheimer electronic potentials and couplings are obtained for different parameters, and the laser-free dynam
Publikováno v:
Highlights in Theoretical Chemistry ISBN: 9783642412714
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::26953520e73f610cf2a18db6158edb31
https://doi.org/10.1007/978-3-642-41272-1_10
https://doi.org/10.1007/978-3-642-41272-1_10
Publikováno v:
The Journal of chemical physics. 134(18)
We investigate pump-probe electron detachment spectroscopy in a model system which is ideally suited to study coupled electronic and nuclear wave-packet dynamics. Time-resolved photoelectron spectra are calculated within the adiabatic approximation a
Publikováno v:
Physical Review A 81 (2010), Nr. 2
We report calculations on high-order harmonic generation in water molecules. Spectra are determined for various initial vibrational states of ${\mathrm{H}}_{2}\mathrm{O}$ and its isotope ${\mathrm{D}}_{2}\mathrm{O}$. It is demonstrated that the ratio