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Performance of local G4(MP2) composite ab initio procedures for fullerene isomerization energies

Amir Karton, Bun Chan

2022Computational and Theoretical Chemistry12 citationsDOIOpen Access PDF

Topics & Concepts

IsomerizationChemistryAb initioFullereneThermochemistryComputational chemistryAb initio quantum chemistry methodsCoupled clusterPhysical chemistryMoleculeOrganic chemistryCatalysisAdvanced Chemical Physics StudiesFullerene Chemistry and ApplicationsChemical Thermodynamics and Molecular Structure
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