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

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".

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-10-05
DOI
https://doi.org/10.5281/zenodo.8411687
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00
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article

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

Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
article

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

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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".

Zenodo (CERN European Organization for Nuclear Research)
Technion – Israel Institute of Technology (IL), Massachusetts Institute of Technology (US)
Openalex Percentile: Top 73%
Machine Learning in Materials Science
DOIOpen Access PDFOpenAlex
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Towards Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions · Zenodo (CERN European Organization for Nuclear Research) (2024) | TGRS Research Map | TGRS