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Organic Chemistry

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Organometallic Chemistry

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Theoretical and Computational Chemistry

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reaction barrier

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3 results in Keywords: reaction barrier

Theoretical and Computational Chemistry

Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density

Santiago Vargas, Matthew Hennefarth, Zhihao Liu, Anastassia N. Alexandrova

Version 1 posted 03 June 2021

665

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Theoretical and Computational Chemistry

Heterogeneous Intramolecular Electric Field as a Descriptor of Diels-Alder Reactivity

Matthew Hennefarth, Anastassia N. Alexandrova

Version 1 posted 23 November 2020

1,302

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Organic Chemistry

The Intrinsic Barrier Width and its Role in Chemical Reactivity

Guanqi Qiu, Peter Richard Schreiner

Version 1 posted 03 May 2023

799

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