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Physical Chemistry Chemical Physics : PCCP|October 12, 2023
Using oriented external electric fields to manipulate rupture forces of mechanophoresTarek Scheele, Tim NeudeckerChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 24, 2024
On the Interplay Between Force, Temperature, and Electric Fields in the Rupture Process of MechanophoresTarek Scheele, Tim NeudeckerThe Journal of Chemical Physics|December 21, 2023
Investigating the accuracy of density functional methods for molecules in electric fieldsTarek Scheele, Tim NeudeckerThe Journal of Physical Chemistry. A|February 12, 2025
Using Conformational Sampling to Model Spectral and Structural Changes of Molecules at Elevated PressuresFelix Zeller, Philipp Pracht, Tim NeudeckerThe Journal of Chemical Physics|February 22, 2024
Calculating high-pressure vibrational frequencies analytically with the extended hydrostatic compression force field approachRahel Weiß, Felix Zeller, Tim NeudeckerJournal of Chemical Theory and Computation|January 17, 2025
An Integral-Direct GOSTSHYP Algorithm for the Computation of High Pressure Effects on Molecular and Electronic StructureAnsgar Pausch, Felix Zeller, Tim NeudeckerChemistry (Weinheim an Der Bergstrasse, Germany)|April 1, 2024
Emergent Properties in Chemistry - Relating Molecular Properties to Bulk BehaviorNorman Sieroka, Tammo Lossau, Tim NeudeckerThe Journal of Physical Chemistry. A|May 26, 2026
Enhancing Molecular High-Pressure Simulations by Implicit SolvationNico Kißing, Felix Zeller, Tim NeudeckerPhysical Chemistry Chemical Physics : PCCP|June 17, 2025
Modeling the projected range of protons in matter: insights from molecular dynamics and quantum chemistryChieh-Min Hsieh, Alexander Dellwisch, Tim NeudeckerACS Omega|December 19, 2022
Trapping the Transition State in a [2,3]-Sigmatropic Rearrangement by Applying PressureSourabh Kumar, Rahel Weiß, Felix Zeller, et al.Pageof 3