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Exploring the effect of Zr/B ratio on the stability and reactivity of activated ε-caprolactone complexes: A DFT, QTAIM and NCI study

Wijitra Meelua, Tanchanok Wanjai, Jitrayut Jitonnom

2025Journal of Molecular Graphics and Modelling13 citationsDOI

Topics & Concepts

Reactivity (psychology)CaprolactoneChemistryOrganic chemistryMedicineAlternative medicineCopolymerPathologyPolymerThermal and Kinetic AnalysisOrganometallic Complex Synthesis and CatalysisRadioactive element chemistry and processing
Exploring the effect of Zr/B ratio on the stability and reactivity of activated ε-caprolactone complexes: A DFT, QTAIM and NCI study | Litcius