about
Quantum theoretical study of electron solvation dynamics in ice layers on a Cu(111) surface.Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: controlled dipole switching in lithium cyanide.Optimal control in a dissipative system: vibrational excitation of CO/Cu(100) by IR pulses.Selective excitation of coupled CO vibrations on a dissipative Cu(100) surface by shaped infrared laser pulses.Quantum chemical investigation of thermal cis-to-trans isomerization of azobenzene derivatives: substituent effects, solvent effects, and comparison to experimental data.Selective subsurface absorption of hydrogen in palladium using laser distillation.Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory.Stochastic approach to laser-induced ultrafast dynamics: the desorption of H(2)/D(2) from Ru(0001).Dissipative many-electron dynamics of ionizing systems.Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001).The effects of electron-hole pair coupling on the infrared laser-controlled vibrational excitation of NO on Au(111).Current versus temperature-induced switching of a single molecule: open-system density matrix theory for 1,5-cyclooctadiene on Si(100).STM-switching of organic molecules on semiconductor surfaces: an above threshold density matrix model for 1,5 cyclooctadiene on Si(100).Quantum dynamical simulations of the femtosecond-laser-induced ultrafast desorption of H2 and D2 from Ru(0001).Electron correlation dynamics in atoms and molecules.Nonlinear optical response of photochromic azobenzene-functionalized self-assembled monolayers.(TD-)DFT calculation of vibrational and vibronic spectra of riboflavin in solution.On the electronic and geometrical structure of the trans- and cis-isomer of tetra-tert-butyl-azobenzene on Au(111).Systematic investigation of photoinduced electron transfer controlled by internal charge transfer and its consequences for selective PdCl2 coordination.A new analytical potential energy surface for the adsorption system CO/Cu(100).Ab initio quantum chemical investigation of the first steps of the photocycle of phototropin: a model study.Current versus temperature-induced switching in a single-molecule tunnel junction: 1,5 cyclooctadiene on Si(001).Long-range intermolecular charge transfer induced by laser pulses: an explicitly time-dependent configuration interaction approach.Serine in BLUF domains displays spectral importance in computational models.Vibrationally resolved optical spectra of modified diamondoids obtained from time-dependent correlation function methods.The photoinduced E → Z isomerization of bisazobenzenes: a surface hopping molecular dynamics study.Vibrational lifetimes of hydrogen on lead films: an ab initio molecular dynamics with electronic friction (AIMDEF) study.Vibrationally resolved absorption, emission and resonance Raman spectra of diamondoids: a study based on time-dependent correlation functions.BLUF hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study.Optical absorption and excitonic coupling in azobenzenes forming self-assembled monolayers: a study based on density functional theory.Femtosecond stimulated Raman spectroscopy of flavin after optical excitation.Non-adiabatic excited state dynamics of riboflavin after photoexcitation.A hybrid local/global optimal control algorithm for dissipative systems with time-dependent targets: formulation and application to relaxing adsorbates.Molecular response properties from explicitly time-dependent configuration interaction methods.Time-dependent approach to electronically excited states of molecules with the multiconfiguration time-dependent Hartree-Fock method.A local coherent-state approximation to system-bath quantum dynamics.Reversible Photoswitching of the Interfacial Nonlinear Optical Response.C K-edge NEXAFS spectra of graphene with physical and chemical defects: a study based on density functional theory.Electronic structure changes during the surface-assisted formation of a graphene nanoribbon.Electronic decoupling approach to quantitative photoswitching in linear multiazobenzene architectures.
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description
hulumtues
@sq
researcher
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ricercatore
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scheikundige
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հետազոտող
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name
Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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type
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Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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prefLabel
Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
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Peter Saalfrank
@es
Peter Saalfrank
@nl
Peter Saalfrank
@sl
P227
P1153
7004035188
P21
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6188153653254955900001
P227
1166265234
P31
P496
0000-0002-5988-5945
P734
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