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Organic Chemistry

Working Paper

Designing solvent systems in chemical processes using self-evolving solubility databases and graph neural networks

Yeonjoon Kim, Hojin Jung, Sabari Kumar, Robert S. Paton, Seonah Kim

Version 3 posted 07 July 2023

1,174

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Theoretical and Computational Chemistry

Working Paper

Design Green Chemicals by Predicting Vaporization Properties Using Explainable Graph Attention Networks

Yeonjoon Kim, Jaeyoung Cho, Hojin Jung, Lydia E. Meyer, Gina M. Fioroni, Christopher D. Stubbs, Keunhong Jeong, Robert L. McCormick, Peter C. St. John, Seonah Kim

Version 2 posted 01 August 2024

394

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Theoretical and Computational Chemistry

Working Paper

Expansion of Bond Dissociation Prediction with Machine Learning to Medicinally and Environmentally Relevant Chemical Space

Shree Sowndarya Santhanalakkshmi Vejaykummar, Yeonjoon Kim, Seonah Kim, Peter St. John, Robert Paton

Version 1 posted 25 August 2023

356

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Chemical Engineering and Industrial Chemistry

Working Paper

The Sooting Behavior of Lactones as Sustainable Fuels

Zhanhong Xiang, Mehmet Acikel, Collin Hansen, Ga-Un Jeong, Seonah Kim, Charles McEnally, Raúl Pérez-Soto, Lisa Pfefferle, David Wang, Vivian Whoriskey, Yuan Xuan

Version 1 posted 08 July 2024

69

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Prediction of Homolytic Bond Dissociation Enthalpies for Organic Molecules at near Chemical Accuracy with Sub-Second Computational Cost

Peter St. John, Yanfei Guan, Yeonjoon Kim, Seonah Kim, Robert Paton

Version 2 posted 15 November 2019

1,949

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2

Citations

Catalysis

Working Paper

Experimental and computational studies of the production of 1,3-butadiene from 2,3-butanediol using SiO2-supported H3PO4 derivatives

Juan Vicente Alegre Requena, Glenn R. Hafenstine, Xiangchen Huo, Yanfei Guan, Jim Stunkel, Frederick G. Baddour, Kinga A. Unocic, Bruno C. Klein, Ryan E. Davis, Robert S. Paton, Derek R. Vardon, Seonah Kim

Version 1 posted 04 January 2023

348

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Chemical Engineering and Industrial Chemistry

Working Paper

Bioderived ether design for low emission and high reactivity transport fuels

Jaeyoung Cho, Yeonjoon Kim, Brian Etz, Gina Fioroni, Nimal Naser, Junqing Zhu, Zhanhong Xiang, Cameron Hays, Juan Alegre-Requena, Peter St John, Bradley Zigler, Charles McEnally, Lisa Pfefferle, Robert McCormick, Seonah Kim

Version 1 posted 22 December 2021

272

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Theoretical and Computational Chemistry

Working Paper

Sooting tendencies of terpenes and hydrogenated terpenes as sustainable transportation biofuels

Junqing Zhu, Juan V. Alegre-Requena, Patrick Cherry, Dominic Curtis, Benjamin G. Harvey, Mohamed A. Jabed, Seonah Kim, Charles S. McEnally, Lisa D. Pfefferle, Josanne-Dee Woodroffe

Version 1 posted 04 March 2022

352

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1

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Refine Search

8 results in Seonah Kim in Authors: Seonah Kim

Designing solvent systems in chemical processes using self-evolving solubility databases and graph neural networks

Design Green Chemicals by Predicting Vaporization Properties Using Explainable Graph Attention Networks

Expansion of Bond Dissociation Prediction with Machine Learning to Medicinally and Environmentally Relevant Chemical Space

The Sooting Behavior of Lactones as Sustainable Fuels

Prediction of Homolytic Bond Dissociation Enthalpies for Organic Molecules at near Chemical Accuracy with Sub-Second Computational Cost

Experimental and computational studies of the production of 1,3-butadiene from 2,3-butanediol using SiO2-supported H3PO4 derivatives

Bioderived ether design for low emission and high reactivity transport fuels

Sooting tendencies of terpenes and hydrogenated terpenes as sustainable transportation biofuels

8 results in Authors: Seonah Kim