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

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

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

Published: 01 May 2025, Last Modified: 15 Feb 2026The Journal of Physical Chemistry AEveryoneRevisionsCC BY-SA 4.0

External IDs:doi:10.1021/acs.jpca.5c00615

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