Robert Mawhinney

7PUBLICATIONS
5CO-AUTHORS
Deep learningTheoretical quantum chemistrySolid state chemistry
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Publications (7)

|Oct 27, 2025
ReMLP-NET: A Neural Network Interaction Potential for Molecular Energy Prediction.

Omid Tarkhaneh, Sharene D Bungay, Robert C Mawhinney

|May 20, 2025
Development and Validation of Atomic Group Descriptors for Substituent Effects.

Kevin Lefrancois-Gagnon, Robert Mawhinney

|Sep 20, 2023
Toward Universal Substituent Constants: Relating QTAIM Functional Group Descriptors to Substituent Effect Proxies.

Kevin M Lefrancois-Gagnon, Robert C Mawhinney

|Nov 29, 2021
Toward universal substituent constants: Transferability of group descriptors from the quantum theory of atoms in molecules.

Kevin M Lefrancois-Gagnon, Robert C Mawhinney

|Sep 01, 2020
Toward universal substituent constants: Model chemistry sensitivity of descriptors from the quantum theory of atoms in molecules.

Kevin M Lefrancois-Gagnon, Robert C Mawhinney

|Apr 22, 2020
Silicon Forms a Rich Diversity of Aliphatic Polyol Complexes in Aqueous Solution.

Bradley M Vis, Jiali Wen, Soren K Mellerup

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