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Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces

Chemical reviews, 2006-10, Vol.106 (10), p.4116-4159

Saalfrank, Peter

2006

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Protonated Imine‐Linked Covalent Organic Frameworks for Photocatalytic Hydrogen Evolution

Angewandte Chemie International Edition, 2021-09, Vol.60 (36), p.19797-19803

International ed. in English, 2021

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The Photoinduced E → Z Isomerization of Bisazobenzenes: A Surface Hopping Molecular Dynamics Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-05, Vol.119 (20), p.5026-5037

2015

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Constitutional isomerism of the linkages in donor–acceptor covalent organic frameworks and its impact on photocatalysis

Nature communications, 2022-10, Vol.13 (1), p.6317-6317, Article 6317

2022

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Electrocatalytic Z → E Isomerization of Azobenzenes

Journal of the American Chemical Society, 2017-01, Vol.139 (1), p.335-341

2017

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Towards low-energy-light-driven bistable photoswitches: ortho-fluoroaminoazobenzenes

Photochemical & photobiological sciences, 2022-02, Vol.21 (2), p.159-173

2022

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Vibrationally resolved absorption, emission and resonance Raman spectra of diamondoids: a study based on time-dependent correlation functions

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (1), p.144-158

2014

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Vibrationally resolved absorption and fluorescence spectra of perylene and N-substituted derivatives from autocorrelation function approaches

Chemical physics, 2018-11, Vol.515, p.728-736

2018

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Quantum Chemical Investigation of Thermal Cis-to-Trans Isomerization of Azobenzene Derivatives: Substituent Effects, Solvent Effects, and Comparison to Experimental Data

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-06, Vol.113 (24), p.6763-6773

2009

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Raman Enhancement of Nanoparticle Dimers Self-Assembled Using DNA Origami Nanotriangles

Molecules (Basel, Switzerland), 2021-03, Vol.26 (6), p.1684

2021

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Two-Dimensional Nonlinear Optical Switching Materials: Molecular Engineering toward High Nonlinear Optical Contrasts

Journal of physical chemistry. C, 2018-11, Vol.122 (44), p.25555-25564

2018

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(TD-)DFT Calculation of Vibrational and Vibronic Spectra of Riboflavin in Solution

The journal of physical chemistry. B, 2010-08, Vol.114 (33), p.10826-10834

2010

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Thermal Cis-to-Trans Isomerization of Azobenzene-Containing Molecules Enhanced by Gold Nanoparticles: An Experimental and Theoretical Study

Journal of physical chemistry. C, 2015-07, Vol.119 (30), p.17369-17377

2015

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Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide

The Journal of chemical physics, 2005-08, Vol.123 (7), p.074105-074105-7

2005

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Molecular response properties from explicitly time-dependent configuration interaction methods

The Journal of chemical physics, 2007-07, Vol.127 (3), p.034107-034107-10

2007

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Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory

The Journal of chemical physics, 2009-09, Vol.131 (11), p.114304-114304-8

2009

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Nonlinear optical response of photochromic azobenzene-functionalized self-assembled monolayers

Physical chemistry chemical physics : PCCP, 2015-07, Vol.17 (27), p.18079-18086

2015

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Reversible Photoswitching of the Interfacial Nonlinear Optical Response

The journal of physical chemistry letters, 2015-02, Vol.6 (3), p.505-509

2015

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Electronic Decoupling Approach to Quantitative Photoswitching in Linear Multiazobenzene Architectures

The journal of physical chemistry. B, 2011-08, Vol.115 (33), p.9930-9940

2011

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Hole Catalysis as a General Mechanism for Efficient and Wavelength-Independent Z → E Azobenzene Isomerization

Chem, 2018-07, Vol.4 (7), p.1740-1755

2018

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Tuning Properties of Layered Materials Based on Hexagonal Boron Nitride by Methylation: A Density Functional Theory Study

Chemphyschem, 2024-06, Vol.25 (11), p.e202300882-n/a

2024

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Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001)

Physical chemistry chemical physics : PCCP, 2011-05, Vol.13 (19), p.8659-8670

2011

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Surface hopping dynamics of direct trans → cis photoswitching of an azobenzene derivative in constrained adsorbate geometries

The Journal of chemical physics, 2012-12, Vol.137 (23), p.234701-234701

2012

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Vibrationally Broadened Optical Spectra of Selected Radicals and Cations Derived from Adamantane: A Time-Dependent Correlation Function Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-10, Vol.123 (41), p.8871-8880

2019

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"Inverted" CO molecules on NaCl(100): a quantum mechanical study

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (13), p.786-7874

2021

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Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces

Protonated Imine‐Linked Covalent Organic Frameworks for Photocatalytic Hydrogen Evolution

The Photoinduced E → Z Isomerization of Bisazobenzenes: A Surface Hopping Molecular Dynamics Study

Constitutional isomerism of the linkages in donor–acceptor covalent organic frameworks and its impact on photocatalysis

Electrocatalytic Z → E Isomerization of Azobenzenes

Towards low-energy-light-driven bistable photoswitches: ortho-fluoroaminoazobenzenes

Vibrationally resolved absorption, emission and resonance Raman spectra of diamondoids: a study based on time-dependent correlation functions

Vibrationally resolved absorption and fluorescence spectra of perylene and N-substituted derivatives from autocorrelation function approaches

Quantum Chemical Investigation of Thermal Cis-to-Trans Isomerization of Azobenzene Derivatives: Substituent Effects, Solvent Effects, and Comparison to Experimental Data

Raman Enhancement of Nanoparticle Dimers Self-Assembled Using DNA Origami Nanotriangles

Two-Dimensional Nonlinear Optical Switching Materials: Molecular Engineering toward High Nonlinear Optical Contrasts

(TD-)DFT Calculation of Vibrational and Vibronic Spectra of Riboflavin in Solution

Thermal Cis-to-Trans Isomerization of Azobenzene-Containing Molecules Enhanced by Gold Nanoparticles: An Experimental and Theoretical Study

Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide

Molecular response properties from explicitly time-dependent configuration interaction methods

Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory

Nonlinear optical response of photochromic azobenzene-functionalized self-assembled monolayers

Reversible Photoswitching of the Interfacial Nonlinear Optical Response

Electronic Decoupling Approach to Quantitative Photoswitching in Linear Multiazobenzene Architectures

Hole Catalysis as a General Mechanism for Efficient and Wavelength-Independent Z → E Azobenzene Isomerization

Tuning Properties of Layered Materials Based on Hexagonal Boron Nitride by Methylation: A Density Functional Theory Study

Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001)

Surface hopping dynamics of direct trans → cis photoswitching of an azobenzene derivative in constrained adsorbate geometries

Vibrationally Broadened Optical Spectra of Selected Radicals and Cations Derived from Adamantane: A Time-Dependent Correlation Function Approach

"Inverted" CO molecules on NaCl(100): a quantum mechanical study

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