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anharmonic theoretical vibrational spectroscopy

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2 results in Keywords: anharmonic theoretical vibrational spectroscopy

Theoretical and Computational Chemistry

Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra

Julia Brüggemann, Maria Chekmeneva, Mario Wolter, Christoph Jacob

Version 3 posted 05 October 2023

304

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Theoretical and Computational Chemistry

Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI

Julia Brüggemann, Mario Wolter, Christoph Jacob

Version 2 posted 14 December 2022

249

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