Work

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

Year: 2024

Type: article

Abstract: This contains supporting information of our published work, "Towards Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions".

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.8411687

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

Institutions: Massachusetts Institute of Technology, Technion – Israel Institute of Technology

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W6950310408

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