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Catalysis

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Physical Chemistry

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Theoretical and Computational Chemistry

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András Stirling

3 results in Authors: András Stirling

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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Physical Chemistry

A Practice-Oriented Benchmark Strategy to Predict the UV-Vis Spectra of Organic Photocatalysts

Péter Pál Fehér, Ádám Madarász, András Stirling

Version 3 posted 25 November 2022

825

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Theoretical and Computational Chemistry

Multiscale Modeling of Electronic Spectra Including Nuclear Quantum Effects

Péter Fehér, Ádám Madarász, András Stirling

Version 2 posted 17 August 2021

424

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