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Angiras Menon

2 results in Authors: Angiras Menon

Theoretical and Computational Chemistry

When Do Quantum Mechanical Descriptors Help Graph Neural Networks Predict Chemical Properties?

Shih-Cheng Li, Haoyang Wu, Angiras Menon, Kevin Spiekermann, Yi-Pei Li, William Green

Version 3 posted 01 July 2024

1,378

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Theoretical and Computational Chemistry

Towards Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions

Haoyang Wu, A. Mark Payne, Hao-Wei Pang, Angiras Menon, Colin A. Grambow, Duminda S. Ranasinghe, Xiaorui Dong, Alon Grinberg Dana, William H. Green

Version 4 posted 22 April 2024

520

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