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4 results in Keywords: Reaction kinetics

Theoretical and Computational Chemistry

DFT Study of the Arbuzov Reaction Mechanism between Ethyl Halogenides and Trimethoxyphosphine

Anastasia Filippova, Maria Syzgantseva, Alexander Galitsin, Olga Syzgantseva

Version 1 posted 30 August 2024

96

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Chemical Engineering and Industrial Chemistry

Improved Prediction of Reaction Kinetics for Amine Absorbent-based Carbon Capture using Reactive Site-based Transition State Conformer Search Method

Qilei Liu, Sheng Xiang, Jian Du, Qingwei Meng, Lei Zhang

Version 1 posted 12 September 2023

142

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Prediction of enantioselectivity by monitoring reaction intermediates

Roelant Hilgers, Sin Yong Teng, Anamarija Bris, Aleksandr Y. Pereverzev, Paul White, Jeroen Jansen, Jana Roithova

Version 1 posted 13 April 2022

375

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Organic Chemistry

Synergistic Experimental and Computational Investigation of the Bioorthogonal Reactivity of Substituted Aryltetrazines

Umberto Battisti, Rocío García-Vázquez, Dennis Svatunek, Barbara Herrmann, Andreas Löffler, Hannes Mikula, Matthias Herth

Version 1 posted 26 October 2021

315

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