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Analytical Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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spectra

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3 results in Keywords: spectra

Analytical Chemistry

Functional Group Identification for FTIR Spectra Using Image-Based Machine Learning Models

Abigail Enders, Nicole North, Chase Fensore, Juan Velez-Alvarez, Heather Allen

Version 1 posted 11 March 2021

3,420

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Theoretical and Computational Chemistry

Surface Hopping Molecular Dynamics Simulations for Photophysics and Photoreactions Involving Pyrene and CH3Cl

Elham Mazarei, Evgenii Titov, Peter Saalfrank

Version 1 posted 16 April 2025

95

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Theoretical and Computational Chemistry

Stochastic-Chebyshev Expansion Approach for the Simulation of Linear Polariton Spectroscopy under the Collective Coupling Regime

Braden Weight, Pengfei Huo

Version 1 posted 14 March 2025

117

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