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Theoretical and Computational Chemistry

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Rahel Weiß

2 results in Authors: Rahel Weiß

Theoretical and Computational Chemistry

Calculating High-Pressure Vibrational Frequencies Analytically with the Extended Hydrostatic Compression Force Field Approach

Rahel Weiß, Felix Zeller, Tim Neudecker

Version 1 posted 01 December 2023

79

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Theoretical and Computational Chemistry

Achieving Pressure Consistency in Mechanochemical Simulations of Chemical Reactions Under Pressure

Jonas Bentrup, Rahel Weiß, Felix Zeller, Tim Neudecker

Version 1 posted 30 September 2024

66

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