Structural, thermodynamic, and kinetic analysis of CO2 binding with cucurbiturils (CB[4], CB[5], CB[6]): A DFT computational study

Mohammed I Alomari,Taher S Ababneh,Jamal N Dawoud

doi:10.1016/j.comptc.2024.115043

Structural, thermodynamic, and kinetic analysis of CO2 binding with cucurbiturils (CB[4], CB[5], CB[6]): A DFT computational study

Mohammed I Alomari, Taher S Ababneh + Show 1 more

https://doi.org/10.1016/j.comptc.2024.115043

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Journal: Computational and Theoretical Chemistry

Publication Date: Feb 1, 2025

#DFT Computational Study #Kinetic Analysis Of Binding #Thermodynamic Analysis #CO2 Binding #Kinetic Analysis #Computational Study

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Structural, thermodynamic, and kinetic analysis of CO2 binding with cucurbiturils (CB[4], CB[5], CB[6]): A DFT computational study

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Structural, thermodynamic, and kinetic analysis of CO2 binding with cucurbiturils (CB[4], CB[5], CB[6]): A DFT computational study