Publications by authors named "Eric M Collins"

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Stepping-Stone CBH: Benchmark and Application of a Multilayered Isodesmic-Based Correction Scheme.
Eric M Collins, Krishnan Raghavachari

J Chem Theory Comput· May 2024

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Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based Hierarchy.
Krishnan Raghavachari, Sarah Maier, Eric M Collins, Sibali Debnath, Arkajyoti Sengupta

J Chem Theory Comput· July 2023

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Interpretable Graph-Network-Based Machine Learning Models via Molecular Fragmentation.
Eric M Collins, Krishnan Raghavachari

J Chem Theory Comput· May 2023

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Quantitative Prediction of Vertical Ionization Potentials from DFT via a Graph-Network-Based Delta Machine Learning Model Incorporating Electronic Descriptors.
Sarah Maier, Eric M Collins, Krishnan Raghavachari

J Phys Chem A· April 2023

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A Fragmentation-Based Graph Embedding Framework for QM/ML.
Eric M Collins, Krishnan Raghavachari

J Phys Chem A· August 2021

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Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine Learning.
Eric M Collins, Krishnan Raghavachari

J Chem Theory Comput· August 2020

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Accurate Thermochemistry for Organic Cations via Error Cancellation using Connectivity-Based Hierarchy.
Eric M Collins, Arkajyoti Sengupta, Deyaa I AbuSalim, Krishnan Raghavachari

J Phys Chem A· February 2018

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