Zobrazeno 1 - 7
of 7
pro vyhledávání: '"George F. Schuette"'
Publikováno v:
Theoretical Foundations of Chemical Engineering. 51:949-960
Quantum chemical calculations are emerging as an effective way to screen catalysts for particular applications. In this contribution, we demonstrate the power of density functional theory to study CO2 hydrolysisby six carbonic anhydrase mimics, evalu
Publikováno v:
Applied Catalysis A: General. 492:151-159
Density functional theory (DFT) calculations were used to study the mechanism of CO2 hydrolysis by Co-(1,4,7,10-tetrazacyclododecane), also referred to as cobalt-cyclen, and evaluate the associated thermodynamic and kinetic parameters. A microkinetic
Publikováno v:
International Journal of Chemical Kinetics. 46:683-700
Density functional theory (DFT) calculations were used to study the mechanism of CO2 hydrolysis by Zn-(1,5,9-triazacyclododecane) and Zn-cyclam and evaluate the associated thermodynamic and kinetic parameters. Microkinetic models were then built base
Publikováno v:
Journal of Catalysis. 317:176-184
Density functional theory (DFT) calculations were used to study the mechanism of CO2 hydrolysis by Zn-(1,4,7,10-tetraazacyclododecane), also referred to as zinc–cyclen, and evaluate the associated thermodynamic and kinetic parameters. A microkineti
Autor:
Manjusha Verma, Pamela Pollet, Amy L. Rohan, Sean Faltermeier, Manish Talreja, Elizabeth J. Biddinger, Charles A. Eckert, Paul T. Nielsen, George F. Schuette, Jackson R. Switzer, Charles L. Liotta, Swetha Sivaswamy, Kyle M. Flack, Ryan Hart
Publikováno v:
ChemSusChem. 5:2181-2187
Silylamine reversible ionic liquids were designed to achieve specific physical properties in order to address effective CO₂ capture. The reversible ionic liquid systems reported herein represent a class of switchable solvents where a relatively non
Autor:
George F. Schuette, W. Ronald Gentry
Publikováno v:
The Journal of Chemical Physics. 78:1786-1794
The merged molecular beam technique has been used to study the reaction D+ 2+F(2 P)→FD++D over the kinetic energy range from 0.002 to 30 eV. The energy dependence of the absolute total reaction cross section at low kinetic energies indicates that r
Autor:
George F. Schuette, W. Ronald Gentry
Publikováno v:
The Journal of Chemical Physics. 78:1777-1785