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3 results in Authors: Theo Kurten

Earth, Space, and Environmental Chemistry

Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning

Jakub Kubečka, Vitus Besel, Ivo Neefjes, Yosef Knattrup, Theo Kurtén, Hanna Vehkamäki, Jonas Elm

Version 1 posted 25 September 2023

169

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Earth, Space, and Environmental Chemistry

Unveiling an Unexpected Branching Point in α-pinene Ozonolysis via Molecular Dynamics Guided Reaction Discovery

Huan Yang, Umberto Raucci, Siddharth Iyer, Galib Hasan, Thomas Golin Almeida, Shawon Barua, Anni Savolainen, Juha Kangasluoma, Matti Rissanen, Hanna Vehkamaki, Theo Kurten

Version 2 posted 05 July 2024

390

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Materials Science

Сan Plasmon Change Reaction Path? An Unprecedented Regioselective Decomposition of Unsymmetrical Iodonium Salts

Elena Miliutina, Olga Guselnikova, Natalia Soldatova, Polina Bainova, Roman Elashnikov, Přemysl Fitl, Theo Kurten, Mekhman Yusubov, Václav Švorčík, Rashid R. Valiev, Mohamed Chehimi, Oleksiy Lyutakov, Pavel Postnikov

Version 1 posted 13 April 2020

613

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