Publications by authors named "Rahel WeiSS"

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Achieving Pressure Consistency in Mechanochemical Simulations of Chemical Reactions Under Pressure.
Jonas Bentrup, Rahel Weiß, Felix Zeller, Tim Neudecker

J Comput Chem· January 2025

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Calculating high-pressure vibrational frequencies analytically with the extended hydrostatic compression force field approach.
Rahel Weiß, Felix Zeller, Tim Neudecker

J Chem Phys· February 2024

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Trapping the Transition State in a [2,3]-Sigmatropic Rearrangement by Applying Pressure.
Sourabh Kumar, Rahel Weiß, Felix Zeller, Tim Neudecker

ACS Omega· December 2022

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