Works by Saalfrank, Peter

Results: 33

Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 4, p. 1, doi. 10.1002/chem.202202967

By:

Traxler, Michael;
Reischauer, Susanne;
Vogl, Sarah;
Roeser, Jérôme;
Rabeah, Jabor;
Penschke, Christopher;
Saalfrank, Peter;
Pieber, Bartholomäus;
Thomas, Arne

Publication type:

Article

Computational study of the adamantane cation: simulations of spectroscopy, fragmentation dynamics, and internal conversion.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 8, p. 1, doi. 10.1007/s00214-023-03006-8

By:

Roy, Bonasree;
Titov, Evgenii;
Saalfrank, Peter

Publication type:

Article

Selective Excitation of Molecule-Surface Vibrations in H2 and D2 Dissociatively Adsorbed on Ru(0001).

Published in:

Israel Journal of Chemistry, 2012, v. 52, n. 5, p. 438, doi. 10.1002/ijch.201100097

By:

Füchsel, Gernot;
Tremblay, Jean Christophe;
Klamroth, Tillmann;
Saalfrank, Peter

Publication type:

Article

Computation of high-harmonic generation spectra of the hydrogen molecule using time-dependent configuration-interaction.

Published in:

Molecular Physics, 2016, v. 114, n. 7/8, p. 947, doi. 10.1080/00268976.2015.1119900

By:

White, Alec F.;
Heide, Chiara Josephine;
Saalfrank, Peter;
Head-Gordon, Martin;
Luppi, Eleonora

Publication type:

Article

A Dual pH‐ and Light‐Responsive Spiropyran‐Based Surfactant: Investigations on Its Switching Behavior and Remote Control over Emulsion Stability.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 21, p. 1, doi. 10.1002/anie.202114687

By:

Reifarth, Martin;
Bekir, Marek;
Bapolisi, Alain M.;
Titov, Evgenii;
Nußhardt, Fabian;
Nowaczyk, Julius;
Grigoriev, Dmitry;
Sharma, Anjali;
Saalfrank, Peter;
Santer, Svetlana;
Hartlieb, Matthias;
Böker, Alexander

Publication type:

Article

Protonated Imine‐Linked Covalent Organic Frameworks for Photocatalytic Hydrogen Evolution.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 36, p. 19797, doi. 10.1002/anie.202104870

By:

Yang, Jin;
Acharjya, Amitava;
Ye, Meng‐Yang;
Rabeah, Jabor;
Li, Shuang;
Kochovski, Zdravko;
Youk, Sol;
Roeser, Jérôme;
Grüneberg, Julia;
Penschke, Christopher;
Schwarze, Michael;
Wang, Tianyi;
Lu, Yan;
van de Krol, Roel;
Oschatz, Martin;
Schomäcker, Reinhard;
Saalfrank, Peter;
Thomas, Arne

Publication type:

Article

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

Published in:

Molecules, 2021, v. 26, n. 6, p. 1684, doi. 10.3390/molecules26061684

By:

Kogikoski, Sergio;
Tapio, Kosti;
von Zander, Robert Edler;
Saalfrank, Peter;
Bald, Ilko;
Linko, Veikko

Publication type:

Article

Cover Feature: Photoisomerization of an Azobenzene‐Containing Surfactant Within a Micelle (ChemPhotoChem 10/2021).

Published in:

ChemPhotoChem, 2021, v. 5, n. 10, p. 877, doi. 10.1002/cptc.202100187

By:

Titov, Evgenii;
Sharma, Anjali;
Lomadze, Nino;
Saalfrank, Peter;
Santer, Svetlana;
Bekir, Marek

Publication type:

Article

Photoisomerization of an Azobenzene‐Containing Surfactant Within a Micelle.

Published in:

ChemPhotoChem, 2021, v. 5, n. 10, p. 926, doi. 10.1002/cptc.202100103

By:

Titov, Evgenii;
Sharma, Anjali;
Lomadze, Nino;
Saalfrank, Peter;
Santer, Svetlana;
Bekir, Marek

Publication type:

Article

Front Cover: Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations (ChemPhysChem 21/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 21, p. 1, doi. 10.1002/cphc.202482101

By:

Roy, Bonasree;
Titov, Evgenii;
Saalfrank, Peter

Publication type:

Article

Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations.

Published in:

ChemPhysChem, 2024, v. 25, n. 21, p. 1, doi. 10.1002/cphc.202400331

By:

Roy, Bonasree;
Titov, Evgenii;
Saalfrank, Peter

Publication type:

Article

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

Published in:

ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300882

By:

Mazarei, Elham;
Saalfrank, Peter

Publication type:

Article

Ab Initio Quantum Chemical Investigation of the First Steps of the Photocycle of Phototropin: A Model Study.

Published in:

Photochemistry & Photobiology, 2003, v. 77, n. 1, p. 101, doi. 10.1562/0031-8655(2003)0770101AIQCIO2.0.CO2

By:

Neiß, Christian;
Saalfrank, Peter

Publication type:

Article

Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time-Dependent Density Functional Theory.

Published in:

ChemPhysChem, 2016, v. 17, n. 19, p. 3129, doi. 10.1002/cphc.201600650

By:

Kulesza, Alexander Jan;
Titov, Evgenii;
Daly, Steven;
Włodarczyk, Radosław;
Megow, Jörg;
Saalfrank, Peter;
Choi, Chang Min;
MacAleese, Luke;
Antoine, Rodolphe;
Dugourd, Philippe

Publication type:

Article

Cover Picture: Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time-Dependent Density Functional Theory (ChemPhysChem 19/2016).

Published in:

ChemPhysChem, 2016, v. 17, n. 19, p. 2950, doi. 10.1002/cphc.201601022

By:

Kulesza, Alexander Jan;
Titov, Evgenii;
Daly, Steven;
Włodarczyk, Radosław;
Megow, Jörg;
Saalfrank, Peter;
Choi, Chang Min;
MacAleese, Luke;
Antoine, Rodolphe;
Dugourd, Philippe

Publication type:

Article

Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time-Dependent Density Functional Theory.

Published in:

ChemPhysChem, 2016, v. 17, n. 19, p. 2951, doi. 10.1002/cphc.201601021

By:

Kulesza, Alexander Jan;
Titov, Evgenii;
Daly, Steven;
Włodarczyk, Radosław;
Megow, Jörg;
Saalfrank, Peter;
Choi, Chang Min;
MacAleese, Luke;
Antoine, Rodolphe;
Dugourd, Philippe

Publication type:

Article

Quantum Dynamical Simulations of the Femtosecond-Laser-Induced Ultrafast Desorption of H2 and D2 from Ru(0001).

Published in:

ChemPhysChem, 2013, v. 14, n. 7, p. 1471, doi. 10.1002/cphc.201200940

By:

Füchsel, Gernot;
Tremblay, Jean Christophe;
Klamroth, Tillmann;
Saalfrank, Peter

Publication type:

Article

cis- trans Isomerisation of Substituted Aromatic Imines: A Comparative Experimental and Theoretical Study.

Published in:

ChemPhysChem, 2011, v. 12, n. 12, p. 2311, doi. 10.1002/cphc.201100179

By:

Luo, Ying;
Utecht, Manuel;
Dokić, Jadranka;
Korchak, Sergey;
Vieth, Hans-Martin;
Haag, Rainer;
Saalfrank, Peter

Publication type:

Article

Manipulating tunnelling gateways in condensed phase isomerization.

Published in:

Natural Sciences, 2023, v. 3, n. 3, p. 1, doi. 10.1002/ntls.20230006

By:

Choudhury, Arnab;
Sinha, Shreya;
Harlander, David;
DeVine, Jessalyn;
Kandratsenka, Alexander;
Saalfrank, Peter;
Schwarzer, Dirk;
Wodtke, Alec M.

Publication type:

Article

Open-system density matrix description of an STM-driven atomic switch: H on Si(100).

Published in:

Applied Physics A: Materials Science & Processing, 2008, v. 93, n. 2, p. 319, doi. 10.1007/s00339-008-4833-3

By:

Zenichowski, Karl;
Klamroth, Tillmann;
Saalfrank, Peter

Publication type:

Article

Temperature effects for vibrational relaxation of hydrogen adsorbed on Si(100): a stochastic multiconfigurational time-dependent Hartree (MCTDH) study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 183, doi. 10.1007/s00214-009-0721-y

By:

Lüder, Franziska;
Nest, Mathias;
Saalfrank, Peter

Publication type:

Article

Quantum dynamics of laser- and field-induced desorption of molecules from metal surfaces.

Published in:

International Journal of Quantum Chemistry, 2000, v. 80, n. 2, p. 210, doi. 10.1002/1097-461X(2000)80:2<210::AID-QUA15>3.0.CO;2-2

By:

Saalfrank, Peter

Publication type:

Article

Systematic Investigation of Photoinduced Electron Transfer Controlled by Internal Charge Transfer and Its Consequences for Selective PdCl2 Coordination.

Published in:

Chemistry - A European Journal, 2010, v. 16, n. 6, p. 1819, doi. 10.1002/chem.200902281

By:

Schwarze, Thomas;
Mickler, Wulfhard;
Dosche, Carsten;
Flehr, Roman;
Klamroth, Tillmann;
Löhmannsröben, Hans-Gerd;
Saalfrank, Peter;
Holdt, Hans-Jürgen

Publication type:

Article

Ein dual‐responsives pH‐ und lichtschaltbares Tensid mit einer Spiropyran‐Einheit: Untersuchungen zum Schaltmechanismus und Anwendung zur Steuerung von Emulsionsstabilitäten.

Published in:

Angewandte Chemie, 2022, v. 134, n. 21, p. 1, doi. 10.1002/ange.202114687

By:

Reifarth, Martin;
Bekir, Marek;
Bapolisi, Alain M.;
Titov, Evgenii;
Nußhardt, Fabian;
Nowaczyk, Julius;
Grigoriev, Dmitry;
Sharma, Anjali;
Saalfrank, Peter;
Santer, Svetlana;
Hartlieb, Matthias;
Böker, Alexander

Publication type:

Article

Protonated Imine‐Linked Covalent Organic Frameworks for Photocatalytic Hydrogen Evolution.

Published in:

Angewandte Chemie, 2021, v. 133, n. 36, p. 19950, doi. 10.1002/ange.202104870

By:

Yang, Jin;
Acharjya, Amitava;
Ye, Meng‐Yang;
Rabeah, Jabor;
Li, Shuang;
Kochovski, Zdravko;
Youk, Sol;
Roeser, Jérôme;
Grüneberg, Julia;
Penschke, Christopher;
Schwarze, Michael;
Wang, Tianyi;
Lu, Yan;
van de Krol, Roel;
Oschatz, Martin;
Schomäcker, Reinhard;
Saalfrank, Peter;
Thomas, Arne

Publication type:

Article

Theoretical considerations on high T.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, p. 621, doi. 10.1002/qua.560360865

By:

Ladik, János J.;
Saalfrank, Peter;
Wood, Richard F.

Publication type:

Article

Frontispiece: ortho-Fluoroazobenzenes: Visible Light Switches with Very Long-Lived Z Isomers.

Published in:

2014

By:

Knie, Christopher;
Utecht, Manuel;
Zhao, Fangli;
Kulla, Hannes;
Kovalenko, Sergey;
Brouwer, Albert M.;
Saalfrank, Peter;
Hecht, Stefan;
Bléger, David

Publication type:

Other

ortho-Fluoroazobenzenes: Visible Light Switches with Very Long-Lived Z Isomers.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 50, p. 16492, doi. 10.1002/chem.201404649

By:

Knie, Christopher;
Utecht, Manuel;
Zhao, Fangli;
Kulla, Hannes;
Kovalenko, Sergey;
Brouwer, Albert M.;
Saalfrank, Peter;
Hecht, Stefan;
Bléger, David

Publication type:

Article

The Role of Structural Flexibility in Plasmon-Driven Coupling Reactions: Kinetic Limitations in the Dimerization of Nitro-Benzenes.

Published in:

Advanced Materials Interfaces, 2021, v. 8, n. 22, p. 1, doi. 10.1002/admi.202101344

By:

Koopman, Wouter;
Titov, Evgenii;
Sarhan, Radwan M.;
Gaebel, Tina;
Schürmann, Robin;
Mostafa, Amr;
Kogikoski Jr., Sergio;
Milosavljević, Alexandar R.;
Stete, Felix;
Liebig, Ferenc;
Schmitt, Clemens N. Z.;
Koetz, Joachim;
Bald, Ilko;
Saalfrank, Peter;
Bargheer, Matias

Publication type:

Article

Luminescence Detection of Open-Shell Transition-Metal Ions by Photoinduced Electron Transfer Controlled by Internal Charge Transfer of a Receptor.

Published in:

Angewandte Chemie International Edition, 2007, v. 46, n. 10, p. 1671, doi. 10.1002/anie.200603992

By:

Schwarze, Thomas;
Müller, Holger;
Dosche, Carsten;
Klamroth, Tillmann;
Mickler, Wulfhard;
Kelling, Alexandra;
Löhmannsröben, Hans-Gerd;
Saalfrank, Peter;
Holdt, Hans-Jürgen

Publication type:

Article

BLUF Hydrogen network dynamics and UV/Vis spectra: A combined molecular dynamics and quantum chemical study.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 28, p. 2233, doi. 10.1002/jcc.23056

By:

Götze, Jan P.;
Greco, Claudio;
Mitrić, Roland;
Bonačić-Koutecký, Vlasta;
Saalfrank, Peter

Publication type:

Article

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

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-33875-9

By:

Yang, Jin;
Ghosh, Samrat;
Roeser, Jérôme;
Acharjya, Amitava;
Penschke, Christopher;
Tsutsui, Yusuke;
Rabeah, Jabor;
Wang, Tianyi;
Djoko Tameu, Simon Yves;
Ye, Meng-Yang;
Grüneberg, Julia;
Li, Shuang;
Li, Changxia;
Schomäcker, Reinhard;
Van De Krol, Roel;
Seki, Shu;
Saalfrank, Peter;
Thomas, Arne

Publication type:

Article

Quantum chemical modeling of the kinetic isotope effect of the carboxylation step in RuBisCO.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 5, p. 1877, doi. 10.1007/s00894-011-1207-0

By:

Götze, Jan;
Saalfrank, Peter

Publication type:

Article

Works by Saalfrank, Peter

Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.

Computational study of the adamantane cation: simulations of spectroscopy, fragmentation dynamics, and internal conversion.

Selective Excitation of Molecule-Surface Vibrations in H<sub>2</sub> and D<sub>2</sub> Dissociatively Adsorbed on Ru(0001).

Computation of high-harmonic generation spectra of the hydrogen molecule using time-dependent configuration-interaction.

A Dual pH‐ and Light‐Responsive Spiropyran‐Based Surfactant: Investigations on Its Switching Behavior and Remote Control over Emulsion Stability.

Protonated Imine‐Linked Covalent Organic Frameworks for Photocatalytic Hydrogen Evolution.

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

Cover Feature: Photoisomerization of an Azobenzene‐Containing Surfactant Within a Micelle (ChemPhotoChem 10/2021).

Photoisomerization of an Azobenzene‐Containing Surfactant Within a Micelle.

Front Cover: Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations (ChemPhysChem 21/2024).

Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations.

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

Ab Initio Quantum Chemical Investigation of the First Steps of the Photocycle of Phototropin: A Model Study.

Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time-Dependent Density Functional Theory.

Cover Picture: Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time-Dependent Density Functional Theory (ChemPhysChem 19/2016).

Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time-Dependent Density Functional Theory.

Quantum Dynamical Simulations of the Femtosecond-Laser-Induced Ultrafast Desorption of H<sub>2</sub> and D<sub>2</sub> from Ru(0001).

cis- trans Isomerisation of Substituted Aromatic Imines: A Comparative Experimental and Theoretical Study.

Manipulating tunnelling gateways in condensed phase isomerization.

Open-system density matrix description of an STM-driven atomic switch: H on Si(100).

Temperature effects for vibrational relaxation of hydrogen adsorbed on Si(100): a stochastic multiconfigurational time-dependent Hartree (MCTDH) study.

Quantum dynamics of laser- and field-induced desorption of molecules from metal surfaces.

Systematic Investigation of Photoinduced Electron Transfer Controlled by Internal Charge Transfer and Its Consequences for Selective PdCl<sub>2</sub> Coordination.

Ein dual‐responsives pH‐ und lichtschaltbares Tensid mit einer Spiropyran‐Einheit: Untersuchungen zum Schaltmechanismus und Anwendung zur Steuerung von Emulsionsstabilitäten.

Protonated Imine‐Linked Covalent Organic Frameworks for Photocatalytic Hydrogen Evolution.

Theoretical considerations on high T.

Frontispiece: ortho-Fluoroazobenzenes: Visible Light Switches with Very Long-Lived Z Isomers.

ortho-Fluoroazobenzenes: Visible Light Switches with Very Long-Lived Z Isomers.

The Role of Structural Flexibility in Plasmon-Driven Coupling Reactions: Kinetic Limitations in the Dimerization of Nitro-Benzenes.

Luminescence Detection of Open-Shell Transition-Metal Ions by Photoinduced Electron Transfer Controlled by Internal Charge Transfer of a Receptor.

BLUF Hydrogen network dynamics and UV/Vis spectra: A combined molecular dynamics and quantum chemical study.

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

Quantum chemical modeling of the kinetic isotope effect of the carboxylation step in RuBisCO.