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Organic Chemistry

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Shree Sowndarya S. V.

3 results in Authors: Shree Sowndarya S. V.

Theoretical and Computational Chemistry

A Quantitative Metric for Organic Radical Persistence Using Thermodynamic and Kinetic Features

Shree Sowndarya S. V., Peter St. John, Robert Paton

Version 1 posted 13 May 2021

902

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Theoretical and Computational Chemistry

Multi-objective goal-directed optimization of de novo stable organic radicals for aqueous redox flow batteries

Shree Sowndarya S. V., Jeffrey Law, Charles Tripp, Dmitry Duplyakin, Erotokritos Skordilis, David Biagioni, Robert Paton, Peter St. John

Version 1 posted 15 December 2021

749

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Organic Chemistry

Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines

Brittany Haas, Melissa Hardy, Shree Sowndarya S. V., Keir Adams, Connor Coley, Robert Paton, Matthew Sigman

Version 1 posted 23 February 2024

1,601

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