scholarly journals Spin State Change in Organometallic Reactions. Experimental and MP2 Theoretical Studies of the Thermodynamics and Kinetics of the CO and N2Addition to Spin Triplet Cp*MoCl(PMe3)2

1997 ◽  
Vol 119 (10) ◽  
pp. 2516-2523 ◽  
Author(s):  
D. Webster Keogh ◽  
Rinaldo Poli
Keyword(s):  
Spin State ◽  
Theoretical Studies ◽  
State Change ◽  
Organometallic Reactions ◽  
Thermodynamics And Kinetics ◽  
Spin Triplet ◽  
Kinetics Of

Can Spin State Change Slow Organometallic Reactions?

1995 ◽  
Vol 117 (47) ◽  
pp. 11745-11748 ◽  
Author(s):  
Jennifer L. Detrich ◽  
Olivia M. Reinaud ◽  
Arnold L. Rheingold ◽  
Klaus H. Theopold
Keyword(s):  
Spin State ◽  
State Change ◽  
Organometallic Reactions

Chemical Reaction Dynamics at Liquid Interfaces: A Computational Approach

2002 ◽  
Vol 27 (2) ◽  
pp. 87-126 ◽  
Author(s):  
Ilan Benjamin
Keyword(s):  
Surface Roughness ◽  
Reaction Dynamics ◽  
Computational Approach ◽  
Theoretical Studies ◽  
Liquid Interfaces ◽  
Vapor Interface ◽  
Thermodynamics And Kinetics ◽  
Chemical Reaction Dynamics ◽  
Kinetics Of ◽  
Experimental And Theoretical Studies

Recent advances in experimental and theoretical studies of liquid interfaces provide remarkable evidence for the unique properties of these systems. In this review we examine how these properties affect the thermodynamics and kinetics of chemical reactions which take place at the liquid/vapor interface and at the liquid/liquid interface. We demonstrate how the rapidly varying density and viscosity, the marked changes in polarity and the surface roughness manifest themselves in isomerization, electron transfer and photodissociation reactions.

Theoretical studies on the antioxidant activity of viniferifuran

2019 ◽  
Vol 43 (39) ◽  
pp. 15736-15742 ◽  
Author(s):  
Yaxuan Shang ◽  
Huakang Zhou ◽  
Xiangzhou Li ◽  
Jun Zhou ◽  
Kai Chen
Keyword(s):  
Antioxidant Activity ◽  
Radical Scavenging ◽  
Theoretical Studies ◽  
Dft Studies ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of

DFT studies reveal the thermodynamics and kinetics of radical scavenging reactions of a resveratrol dimer derivative – viniferifuran.

Irradiation behavior of pyrolytic silicon carbide

1983 ◽  
Vol 41 ◽  
pp. 72-73
Author(s):  
R. J. Lauf
Keyword(s):  
Silicon Carbide ◽  
Fission Products ◽  
Thermodynamics And Kinetics ◽  
Neutron Fluences ◽  
Fuel Particles ◽  
Sic Coatings ◽  
Irradiation Behavior ◽  
Kinetics Of ◽  
Htgr Fuel

Fuel particles for the High-Temperature Gas-Cooled Reactor (HTGR) contain a layer of pyrolytic silicon carbide to act as a miniature pressure vessel and primary fission product barrier. Optimization of the SiC with respect to fuel performance involves four areas of study: (a) characterization of as-deposited SiC coatings; (b) thermodynamics and kinetics of chemical reactions between SiC and fission products; (c) irradiation behavior of SiC in the absence of fission products; and (d) combined effects of irradiation and fission products. This paper reports the behavior of SiC deposited on inert microspheres and irradiated to fast neutron fluences typical of HTGR fuel at end-of-life.

Thermodynamics and kinetics of hydriding of the Zr(Ni0.75V0.25)2 laves phase

2004 ◽  
Vol 29 (2) ◽  
pp. 1-9
Author(s):  
Mustapha Boulghallat ◽  
Ahmed Jouaiti ◽  
Norbert Gérard
Keyword(s):  
Laves Phase ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of
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