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vibronic effects

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2 results in Keywords: vibronic effects

Theoretical and Computational Chemistry

Vibronic Spectrum of Pyrazine: New Insights from Multi-state-multi-mode Simulations Parameterized with Equation-of-Motion Coupled-Cluster Methods

Paweł Wójcik, Hanna Reisler, John Stanton, Anna Krylov

Version 1 posted 16 May 2025

148

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Theoretical and Computational Chemistry

Improved description of environment and vibronic effects with electrostatically embedded ML potentials

Kirill Zinovjev, Carles Curutchet

Version 2 posted 06 December 2024

291

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