Publications by authors named "Maxwell Venetos"

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Resin-to-Resin Circularity in Chemical Recycling of Dicyclopentadiene-Based Cycloolefin Resins.
Zhen Xu, Mason L Witko, Hongqian Zheng, Julia Im, Shira Haber, Maxwell C Venetos

J Am Chem Soc· July 2025

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HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions.
Rishabh D Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, Alexander Rizzolo Epstein, Maxwell Venetos

J Chem Inf Model· April 2025

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MRSimulator: A cross-platform, object-oriented software package for rapid solid-state NMR spectral simulation and analysis.
Deepansh J Srivastava, Matthew Giammar, Maxwell C Venetos, Lexi McCarthy-Carney, Philip J Grandinetti

J Chem Phys· December 2024

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Refining siliceous zeolite framework structures with Si 2D -resolved NMR spectroscopy.
Deepansh J Srivastava, Maxwell C Venetos, Lexi McCarthy-Carney, Jay H Baltisberger, Philip J Grandinetti

Phys Chem Chem Phys· December 2024

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Deconvolution and Analysis of the H NMR Spectra of Crude Reaction Mixtures.
Maxwell C Venetos, Masha Elkin, Connor Delaney, John F Hartwig, Kristin A Persson

J Chem Inf Model· April 2024

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: predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network.
Sudarshan Vijay, Maxwell C Venetos, Evan Walter Clark Spotte-Smith, Aaron D Kaplan, Mingjian Wen

Chem Sci· February 2024

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Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics.
Alexander Rizzolo Epstein, Evan Walter Clark Spotte-Smith, Maxwell C Venetos, Oxana Andriuc, Kristin Aslaug Persson

J Chem Theory Comput· June 2023

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Machine Learning Full NMR Chemical Shift Tensors of Silicon Oxides with Equivariant Graph Neural Networks.
Maxwell C Venetos, Mingjian Wen, Kristin A Persson

J Phys Chem A· March 2023

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