Peter Saalfrank

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 28

Top Topics

Density Functional Theory

Electron Transfer

Gold Nanoparticles

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Chemphyschem : a European journal of chemical physics and physical chemistry

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Deepak Ojha, Christopher Penschke, Peter Saalfrank
Vibrational dynamics and spectroscopy of water at porous g-C 3 N 4 and C 2 N surfaces. Physical chemistry chemical physics : PCCP (2024)
Felizitas Gottwald, Christopher Penschke, Peter Saalfrank
Water splitting at imine-linked covalent organic frameworks. Physical chemistry chemical physics : PCCP (2024)
Elham Mazarei, Peter Saalfrank
Tuning Properties of Layered Materials Based on Hexagonal Boron Nitride by Methylation: A Density Functional Theory Study. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Eric W Fischer, Jan A Syska, Peter Saalfrank
A Quantum Chemistry Approach to Linear Vibro-Polaritonic Infrared Spectra with Perturbative Electron-Photon Correlation. The journal of physical chemistry letters 15 (8) (2024)
Eric W Fischer, Jan A Syska, Peter Saalfrank
A Quantum Chemistry Approach to Linear Vibro-Polaritonic Infrared Spectra with Perturbative Electron-Photon Correlation. The journal of physical chemistry letters (2024)
Deepak Ojha, Christopher Penschke, Peter Saalfrank
Vibrational dynamics and spectroscopy of water at porous g-C 3 N 4 and C 2 N surfaces. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Deepak Ojha, Christopher Penschke, Peter Saalfrank
Vibrational dynamics and spectroscopy of water at porous g-C 3 N 4 and C 2 N surfaces. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Elham Mazarei, Peter Saalfrank
Tuning Properties of Layered Materials Based on Hexagonal Boron Nitride by Methylation: A Density Functional Theory Study. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (11) (2024)
Eric W Fischer, Jan A Syska, Peter Saalfrank
A Quantum Chemistry Approach to Linear Vibro-Polaritonic Infrared Spectra with Perturbative Electron-Photon Correlation. The journal of physical chemistry letters 15 (8) (2024)
Felizitas Gottwald, Christopher Penschke, Peter Saalfrank
Water splitting at imine-linked covalent organic frameworks. Physical chemistry chemical physics : PCCP 26 (32) (2024)
Deepak Ojha, Christopher Penschke, Peter Saalfrank
Vibrational dynamics and spectroscopy of water at porous g-C 3 N 4 and C 2 N surfaces. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Eric W Fischer, Jan A Syska, Peter Saalfrank
A Quantum Chemistry Approach to Linear Vibro-Polaritonic Infrared Spectra with Perturbative Electron-Photon Correlation. The journal of physical chemistry letters 15 (8) (2024)
Elham Mazarei, Peter Saalfrank
Tuning Properties of Layered Materials Based on Hexagonal Boron Nitride by Methylation: A Density Functional Theory Study. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (11) (2024)
Elham Mazarei, Christopher Penschke, Peter Saalfrank
Band Gap Engineering in Two-Dimensional Materials by Functionalization: Methylation of Graphene and Graphene Bilayers. ACS omega 8 (24) (2023)
Eric W Fischer, Peter Saalfrank
Cavity-catalyzed hydrogen transfer dynamics in an entangled molecular ensemble under vibrational strong coupling. Physical chemistry chemical physics : PCCP (2023)
Paul Anton Albrecht, Christoph Witzorky, Peter Saalfrank, Tillmann Klamroth
Approximation Schemes to Include Nuclear Motion in Laser-Driven Ab Initio Electron Dynamics: Application to High Harmonic Generation. The journal of physical chemistry. A (2023)
Eric W Fischer, Peter Saalfrank
Beyond Cavity Born-Oppenheimer: On Nonadiabatic Coupling and Effective Ground State Hamiltonians in Vibro-Polaritonic Chemistry. Journal of chemical theory and computation (2023)
Elham Mazarei, Christopher Penschke, Peter Saalfrank
Band Gap Engineering in Two-Dimensional Materials by Functionalization: Methylation of Graphene and Graphene Bilayers. ACS omega 8 (24) (2023)
Auguste Tetenoire, Christopher Ehlert, J Iñaki Juaristi, Peter Saalfrank, Maite Alducin
Why Ultrafast Photoinduced CO Desorption Dominates over Oxidation on Ru(0001). The journal of physical chemistry letters 13 (36) (2022)
Christopher Penschke, Robert Edler von Zander, Alkit Beqiraj, Anna Zehle, Nicolas Jahn, Rainer Neumann, Peter Saalfrank
Water on porous, nitrogen-containing layered carbon materials: the performance of computational model chemistries. Physical chemistry chemical physics : PCCP 24 (24) (2022)
Martin Reifarth, Marek Bekir, Alain M Bapolisi, Evgenii Titov, Fabian Nußhardt, Julius Nowaczyk, Dmitry Grigoriev, Anjali Sharma, Peter Saalfrank, Svetlana A Santer, Matthias Hartlieb, Alexander Böker
A Dual pH- and Light-Responsive Spiropyran-Based Surfactant: Investigations on Its Switching Behavior and Remote Control over Emulsion Stability. Angewandte Chemie (International ed. in English) 61 (21) (2022)
Jin Yang, Samrat Ghosh, Jérôme Roeser, Amitava Acharjya, Christopher Penschke, Yusuke Tsutsui, Jabor Rabeah, Tianyi Wang, Simon Yves Djoko Tameu, Meng-Yang Ye, Julia Grüneberg, Shuang Li, Changxia Li, Reinhard Schomäcker, Roel Van De Krol, Shu Seki, Peter Saalfrank, Arne Thomas
Constitutional isomerism of the linkages in donor-acceptor covalent organic frameworks and its impact on photocatalysis. Nature communications 13 (1) (2022)
Arnab Choudhury, Jessalyn A DeVine, Shreya Sinha, Jascha A Lau, Alexander Kandratsenka, Dirk Schwarzer, Peter Saalfrank, Alec M Wodtke
Condensed-phase isomerization through tunnelling gateways. Nature (2022)
Robin Schürmann, Evgenii Titov, Kenny Ebel, Sergio Kogikoski, Amr Mostafa, Peter Saalfrank, Aleksandar R Milosavljević, Ilko Bald
The electronic structure of the metal-organic interface of isolated ligand coated gold nanoparticles. Nanoscale advances 4 (6) (2022)
Christoph Witzorky, Guennaddi Paramonov, Foudhil Bouakline, Ralph Jaquet, Peter Saalfrank, Tillmann Klamroth
Gaussian-Type Orbital Calculations for High Harmonic Generation in Vibrating Molecules: Benchmarks for H2. Journal of chemical theory and computation (2021)
Robert Edler von Zander, Peter Saalfrank
On the Borate-Catalyzed Electrochemical Reduction of Phosphine Oxide: A Computational Study. The journal of physical chemistry. A 124 (49) (2020)
Tao Xiong, Peter Saalfrank
Vibrationally Broadened Optical Spectra of Selected Radicals and Cations Derived from Adamantane: A Time-Dependent Correlation Function Approach. The journal of physical chemistry. A 123 (41) (2019)
Alexander Jan Kulesza, Evgenii Titov, Steven Daly, Radosław Włodarczyk, Jörg Megow, Peter Saalfrank, Chang Min Choi, Luke Mac Aleese, Rodolphe Antoine, Philippe Dugourd
Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time-Dependent Density Functional Theory. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (19) (2016)