ChemInform Abstract: Theoretical Studies of Chemical Reactions - A Fascinating World of Chemistry from Gas-Phase Elementary Reactions Through Nanostructure Formation and Homogeneous Catalysis to Reactions of Metalloenzymes

ChemInform ◽  
2008 ◽  
Vol 39 (14) ◽  
Author(s):  
Keiji Morokuma
Keyword(s):  
Gas Phase ◽  
Chemical Reactions ◽  
Homogeneous Catalysis ◽  
Theoretical Studies ◽  
Elementary Reactions ◽  
Nanostructure Formation

Numerical Predictions of Hydrogen-Air Rectangular Channel Flows Augmented by Catalytic Surface Reactions

2012 ◽  
Vol 134 (4) ◽  
Author(s):  
Ryoichi S. Amano ◽  
Mohsen M. Abou-Ellail ◽  
S. Kaseb
Keyword(s):  
Gas Phase ◽  
Chemical Reactions ◽  
Rectangular Channel ◽  
Channel Flows ◽  
Reacting Flow ◽  
Surface Chemical ◽  
Platinum Surface ◽  
Elementary Reactions ◽  
Numerical Predictions ◽  
Surface Chemical Reactions

Catalytic combustion of hydrogen-air boundary layers involves the adsorption of hydrogen and oxygen into a platinum-coated surface, chemical reactions of the adsorbed species, and the desorption of the resulting products. Re-adsorption of some produced gases is also possible. This paper presents numerical computations of laminar momentum transfer, heat transfer, and chemical reactions in rectangular channel flows of hydrogen-air mixtures. Chemical reactions are included in the gas phase as well as on the solid platinum surfaces. In the gas phase, eight species are involved in 26 elementary reactions. On the platinum hot surfaces, additional surface species are included, which are involved in 16 additional surface chemical reactions. The platinum surface temperature distribution is prespecified, while the properties of the reacting flow are computed. The results show very good agreement with the measured data.

Experimental and theoretical studies of the gas-phase protonation of aliphatic phosphine oxides and phosphoramides

1985 ◽  
Vol 107 (19) ◽  
pp. 5352-5358 ◽  
Author(s):  
J. C. Bollinger ◽  
R. Houriet ◽  
C. W. Kern ◽  
D. Perret ◽  
J. Weber ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Studies ◽  
Phosphine Oxides ◽  
Experimental And Theoretical Studies

Chemical reactions between cold trappedBa+ions and neutral molecules in the gas phase

2008 ◽  
Vol 78 (4) ◽  
Author(s):  
B. Roth ◽  
D. Offenberg ◽  
C. B. Zhang ◽  
S. Schiller
Keyword(s):  
Gas Phase ◽  
Chemical Reactions

ChemInform Abstract: Transient 1,1-Dimethyl-1-germene, (CH3)2Ge=CH2. Gas-Phase Pyrolytic Generation and EIMS, Matrix Isolation FTIR, and Theoretical Studies.

ChemInform ◽  
2010 ◽  
Vol 29 (37) ◽  
pp. no-no
Author(s):  
V. M. KHABASHESKU ◽  
K. N. KUDIN ◽  
J. TAMAS ◽  
S. E. BOGANOV ◽  
J. L. MARGRAVE ◽  
...  
Keyword(s):  
Gas Phase ◽  
Matrix Isolation ◽  
Theoretical Studies
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