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Theoretical and Computational Chemistry

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Giulia Bergonzini

3 results in Authors: Giulia Bergonzini

Theoretical and Computational Chemistry

An Expert-Augmented Deep Learning Approach for Synthesis Route Evaluation

Guo Yujia, Mikhail Kabeshov, Tat Hong Duong Le, Samuel Genheden, Giulia Bergonzini, Ola Engkvist, Samuel Kaski

Version 2 posted 13 February 2025

933

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Redox-neutral Photocatalytic C-H Carboxylation of Arenes and Styrenes with CO2

Matthias Schmalzbauer, Thomas D. Svejstrup, Florian Fricke, Peter Brandt, Magnus J. Johansson, Giulia Bergonzini, Burkhard Koenig

Version 1 posted 17 June 2020

1,448

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Theoretical and Computational Chemistry

Predicting Reaction Feasibility and Selectivity of Aromatic C–H Thianthrenation with a QM-ML Hybrid Approach

Lukas M. Sigmund, Tina Seifert, Riya Halder, Giulia Bergonzini, Magnus J. Johansson, Per-Ola Norrby, Kjell Jorner, Mikhail Kabeshov

Version 1 posted 16 May 2025

583

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