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local modes

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2 results in Keywords: local modes

Theoretical and Computational Chemistry

Benchmarking of Vibrational Exciton Models Against Quantum-Chemical Localized-Mode Calculations

Anna M. van Bodegraven, Kevin Focke, Mario Wolter, Christoph Jacob

Version 1 posted 21 November 2024

83

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Theoretical and Computational Chemistry

Tailored anharmonic potential energy surfaces for infrared signatures

Janine Hellmers, Pascal Czember, Carolin König

Version 3 posted 07 November 2024

184

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