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in publisher: "Massachusetts Univ., Amherst, MA United States. Dept. of Chemistry"  
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Catalysis and co-catalysis of bond cleavages in coal and coal analogs. Final report, August 1, 1990--January 31, 1994

Description: In work prior to the inception of this project, the authors observed that mixtures of phenolic materials and polyalkoxyaromatic molecules were appreciably more effective in catalyzing the decompositions of di-2-naphthyl ether and of di-1-naphthyl sulfide in tetralin solutions at 450{degrees}C than were the phenols by themselves, even though the polyalkoxyaromatic molecules, in the absence of phenolic co- catalysts, show essentially no catalytic activity. This was of appreciable interest in coal… more
Date: May 1, 1994
Creator: Miller, B.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Theory of the dissociation dynamics of small molecules on metal surfaces: Finite temperature studies. Progress report, July 1, 1990--June 30, 1993

Description: The goal of this study is to gain a better understanding of metal-catalyzed reactions by examining in detail the dynamics of molecule-metal interactions. Much effort has been focused on treating the molecule quantum mechanically when necessary, and including the effects of finite surface temperature. Recently developed time-dependent quantum techniques have been used to compute the dissociative sticking probability of H{sub 2}, HD, and D{sub 2} on Cu and Ni surfaces. All molecular degrees of fr… more
Date: November 1, 1992
Creator: Jackson, B. E.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Theory of the dissociation dynamics of small molecules on metal surfaces. Technical progress report, July 1, 1993--June 30, 1994

Description: The objective is to develop realistic theoretical models for molecule-metal interactions important in catalysis. The dissociative adsorption of diatomics on metals, Eley-Rideal mechanisms for recombinative desorption, and sticking on surfaces have all been examined. Efficient time dependent quantum scattering techniques have been developed to treat the molecular degrees of freedom and the thermal vibrations of the solid.
Date: April 1, 1994
Creator: Jackson, B. E.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Theory of the dissociation dynamics of small molecules on metal surfaces: Finite temperature studies. Annual progress report, July 1, 1991--June 30, 1992

Description: The goal of this study is to gain a better understanding of metal- catalyzed reactions via a detailed examination of the dynamics of molecule-metal interactions. Much effort has focused on treating the molecule as quantum mechanically as possible, and including the effects of finite surface temperature. Recently developed time dependent quantum techniques have been used to compute the dissociative sticking probability of H{sub 2} on various metal surfaces. All molecular degrees of freedom are i… more
Date: February 1, 1992
Creator: Jackson, B. E.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Theory of the dissociation dynamics of small molecules on metal surfaces: Finite temperature studies

Description: The goal of this study is to gain a better understanding of metal- catalyzed reactions via a detailed examination of the dynamics of molecule-metal interactions. Much effort has focused on treating the molecule as quantum mechanically as possible, and including the effects of finite surface temperature. Recently developed time dependent quantum techniques have been used to compute the dissociative sticking probability of H{sub 2} on various metal surfaces. All molecular degrees of freedom are i… more
Date: February 1, 1992
Creator: Jackson, B. E.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Theory of the dissociation dynamics of small molecules on metal surfaces: Finite temperature studies. [Dept. of Chemistry, Univ. of Massachusetts, Amherst]

Description: The goal of this study is to gain a better understanding of metal-catalyzed reactions by examining in detail the dynamics of molecule-metal interactions. Much effort has been focused on treating the molecule quantum mechanically when necessary, and including the effects of finite surface temperature. Recently developed time-dependent quantum techniques have been used to compute the dissociative sticking probability of H[sub 2], HD, and D[sub 2] on Cu and Ni surfaces. All molecular degrees of fr… more
Date: November 1, 1992
Creator: Jackson, B. E.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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