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Anna C Doner

3 results in Authors: Anna C Doner

Theoretical and Computational Chemistry

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

Matthew S. Johnson, Hao-Wei Pang, Anna C. Doner, William H. Green, Judit Zador

Version 1 posted 27 September 2024

214

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Chemical Engineering and Industrial Chemistry

Toward Accurate Quantum Mechanical Thermochemistry: (2) Optimal Methods for Enthalpy Calculations from Comprehensive Benchmarks of 284 Model Chemistries

Haoyang Wu, Anna C. Doner, Hao-Wei Pang, William H. Green

Version 2 posted 08 April 2025

156

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Theoretical and Computational Chemistry

RIGR: Resonance Invariant Graph Representation for Molecular Property Prediction

Akshat Shirish Zalte, Hao-Wei Pang, Anna C Doner, William H. Green

Version 1 posted 06 March 2025

337

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