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reaction-path network

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2 results in Keywords: reaction-path network

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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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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