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excitation energy

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3 results in Keywords: excitation energy

Theoretical and Computational Chemistry

Chemically Accurate Excitation Energies With Small Basis Sets

Emmanuel Giner, Anthony Scemama, Julien Toulouse, Pierre-Francois Loos

Version 1 posted 02 July 2019

375

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Theoretical and Computational Chemistry

Prediction of Redox Power for Photocatalysts: Synergistic Combination of DFT and Machine Learning

Péter Pál Fehér, Ádám Madarász, András Stirling

Version 1 posted 09 March 2023

355

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Theoretical and Computational Chemistry

Modeling Spectral Tuning in Red Fluorescent Proteins Using the Dipole Moment Variation upon Excitation

Maria Khrenova, Fedor Mulashkin, Alexander Nemukhin

Version 1 posted 13 August 2021

229

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