scholarly journals Toward benchmarking theoretical computations of elementary rate constants on catalytic surfaces: formate decomposition on Au and Cu

2022 ◽  
Author(s):  
Eri Muramoto ◽  
Wei Chen ◽  
Xiwen Jia ◽  
Cynthia Friend ◽  
Philippe Sautet ◽  
...  
Keyword(s):  
Rate Constants ◽  
Metal Surfaces ◽  
Catalytic Reactions ◽  
Elementary Reaction ◽  
Catalytic Surfaces ◽  
Formate Decomposition ◽  
Elementary Rate Constants

With the emergence of methods for computing rate constants for elementary reaction steps of catalytic reactions, benchmarking their accuracy becomes important. The unimolecular dehydrogenation of adsorbed formate on metal surfaces...

Mass Selected ZEKE-Spectra of FeC2-Anions: A Spectroscopic Access to Intermediates in Catalytic Reactions of Hydrocarbons on Metal Surfaces

1994 ◽  
Vol 49 (12) ◽  
pp. 1256-1258 ◽  
Author(s):  
G. Drechsler ◽  
C. Bäßmann ◽  
U. Boesl ◽  
E. W. Schlag
Keyword(s):  
Mass Spectrometry ◽  
Photoelectron Spectroscopy ◽  
Metal Surfaces ◽  
Catalytic Reactions ◽  
Photoelectron Spectra ◽  
Mass Analyzer ◽  
Flight Mass Spectrometry ◽  
New Information ◽  
Zero Kinetic Energy ◽  
Conventional Laser

Abstract Zero-kinetic-energy (ZEKE) photoelectron spectra of metalcarbide anions are presented, allowing a high resolu­tion spectroscopic access to intermediates in catalytic reac­tions of hydrocarbons on metal surfaces. As a first compound, FeC2 (an intermediate of the iron/acetylene system) has been chosen. Important for successful ZEKE spectroscopy was a special anion source and the selection by time-of-flight mass spectrometry. In addition, conventional laser induced photo­ detachment photoelectron spectroscopy in combination with our anion source and mass analyzer delivered valuable new information.

scholarly journals Extraction of elementary rate constants from global network analysis of E. coli central metabolism

2008 ◽  
Vol 2 (1) ◽  
pp. 41 ◽  
Author(s):  
Jiao Zhao ◽  
Douglas Ridgway ◽  
Gordon Broderick ◽  
Andriy Kovalenko ◽  
Michael Ellison
Keyword(s):  
Network Analysis ◽  
Rate Constants ◽  
Global Network ◽  
Central Metabolism ◽  
E Coli ◽  
Elementary Rate Constants
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