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artificial force induced reaction method

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3 results in Keywords: artificial force induced reaction method

Theoretical and Computational Chemistry

Differentiating the yield of chemical reactions using parameters in first-order kinetic equations to identify elementary steps that control the reactivity from complicated reaction path networks

Yu Harabuchi, Tomohiko Yokoyama, Wataru Matsuoka, Taihei Oki, Satoru Iwata, Satoshi Maeda

Version 1 posted 14 December 2023

141

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Theoretical and Computational Chemistry

Computational Exploration of Polymer Mechanochemistry: Quantitation of Activation Force and Systematic Discovery of Reaction Sites Utilizing Two Forces

Julong Jiang, Koji Kubota, Mingoo Jin, Zhi Jian Wang, Tasuku Nakajima, Hajime Ito, Jian Ping Gong, Satoshi Maeda

Version 1 posted 23 November 2022

823

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4

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Theoretical and Computational Chemistry

Theoretical chemical reaction database construction based on quantum chemistry-aided retrosynthetic analysis

Yu Harabuchi, Satoshi Maeda

Version 1 posted 22 November 2022

590

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5

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