Browsing Chemical and Bioprocess Engineering Research Collection by Subject "Carbon cycle (Biogeochemistry)"

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Mechanism of Atmospheric CO2 Fixation in the Cavities of a Dinuclear Cryptate

El-Hendawy, Morad M. ; English, Niall J. ; Mooney, Damian A. (ACS Publications, 2012-05-07)

Using density functional theory (DFT) methods, we have investigated two possible mechanisms for atmospheric CO2 fixation in the cavity of the dinuclear zinc (II) octaazacryptate, and the subsequent reaction with methanol ...
A theoretical thermodynamic investigation of cascade reactions in dinuclear octa-azacryptates involving carbon dioxide

English, Niall J. ; Mooney, Damian A. (Springer, 2011)

This paper investigates the thermodynamics of gas-phase CO2 cascade uptake-reactions in the form of carbonate or methoxycarbonate anions in the host cavity of various dinuclear octa-azacryptates of m-CH2C6H4CH2 and ...