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Theoretical and Computational Chemistry

Working Paper

Theoretical and Experimental Investigation of the Stability Limits of Quinones in Aqueous Media: Implications for Organic Aqueous Redox Flow Batteries

Daniel P. Tabor, Rafael Gomez-Bombarelli, Liuchuan Tong, Roy G. Gordon, Michael J. Aziz, Alan Aspuru-Guzik

Version 2 posted 22 August 2018

1,930

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5

Citations

Physical Chemistry

Working Paper

Molecular Engineering of an Alkaline Naphthoquinone Flow Battery

Liuchuan Tong, Marc-Antoni Goulet, Daniel P. Tabor, Emily F. Kerr, Diana De Porcellinis, Eric M. Fell, Alan Aspuru-Guzik, Roy G. Gordon, Michael J. Aziz

Version 1 posted 19 February 2019

1,210

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Biological and Medicinal Chemistry

Working Paper

Multi-modal Cell Labelling for Quantification and Optimization of Stem Cell Delivery to Orthotopic Breast Tumors

May Zaw Thin, Robin Bofinger, Tomas D. Kostelec, John Connell, P. Stephen Patrick, Helen Allan, Helen C. Hailes, Alethea B. Tabor, Mark F. Lythgoe, Daniel J. Stuckey, Tammy L. Kalber

Version 1 posted 15 April 2019

583

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Materials Chemistry

Working Paper

Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic Batteries

Riccardo Alessandri, Cheng-Han Li, Sheila Keating, Khirabdhi T. Mohanty, Aaron Peng, Jodie L. Lutkenhaus, Stuart J. Rowan, Daniel P. Tabor, Juan J. de Pablo

Version 1 posted 21 March 2024

430

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Theoretical and Computational Chemistry

Working Paper

Generative Organic Electronic Molecular Design via Reinforcement Learning Integration with Quantum Chemistry: Tuning Singlet and Triplet Energy Levels

Cheng-Han Li, Daniel P. Tabor

Version 2 posted 03 July 2023

441

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Theoretical and Computational Chemistry

Working Paper

Data-Driven Models for Predicting Intrinsically Disordered Protein Polymer Physics Directly from Composition or Sequence

Tzu-Hsuan Chao, Shiv Rekhi, Jeetain Mittal, Daniel P. Tabor

Version 1 posted 24 March 2023

621

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Low-Data Machine Learning Models for Predicting Thermodynamic Properties of Solid-Solid Phase Transformations in Plastic Crystals

Tzu-Hsuan Chao, Alexander Foncerrada, Patrick J. Shamberger, Daniel P. Tabor

Version 1 posted 14 March 2025

90

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7 results in Daniel P. Tabor in Authors: Daniel P. Tabor

Theoretical and Experimental Investigation of the Stability Limits of Quinones in Aqueous Media: Implications for Organic Aqueous Redox Flow Batteries

Molecular Engineering of an Alkaline Naphthoquinone Flow Battery

Multi-modal Cell Labelling for Quantification and Optimization of Stem Cell Delivery to Orthotopic Breast Tumors

Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic Batteries

Generative Organic Electronic Molecular Design via Reinforcement Learning Integration with Quantum Chemistry: Tuning Singlet and Triplet Energy Levels

Data-Driven Models for Predicting Intrinsically Disordered Protein Polymer Physics Directly from Composition or Sequence

Low-Data Machine Learning Models for Predicting Thermodynamic Properties of Solid-Solid Phase Transformations in Plastic Crystals

7 results in Authors: Daniel P. Tabor