Molecular Energies Derived from Deep Learning: Application to the Prediction of Formation Enthalpies Up to High Energy Compounds
Author:
Affiliation:
1. CEA DAM, Le Ripault 37260 Monts France
Publisher
Wiley
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202100064
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1. Sensitivity of Energetic Materials: Theoretical Relationships to Detonation Performance and Molecular Structure
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5. Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
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1. Application of Machine Learning to the Design of Energetic Materials: Preliminary Experience and Comparison with Alternative Techniques;Propellants, Explosives, Pyrotechnics;2023-01-11
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