Classical transition states for collinear chemical reactions

1981 ◽  
Vol 43 (5) ◽  
pp. 1175-1183
Author(s):  
V.W. Maslen
Keyword(s):  
Chemical Reactions ◽  
Transition States ◽  
Classical Transition

On the Calculation of Transition State Activity Coefficient and Solvent Effects on Chemical Reactions

1998 ◽  
Vol 63 (12) ◽  
pp. 1969-1976 ◽  
Author(s):  
Alvaro Domínguez ◽  
Rafael Jimenez ◽  
Pilar López-Cornejo ◽  
Pilar Pérez ◽  
Francisco Sánchez
Keyword(s):  
Activity Coefficient ◽  
Transition State ◽  
Chemical Reactions ◽  
Solvent Effects ◽  
Transition State Theory ◽  
Reaction Medium ◽  
State Theory ◽  
Precursor Complex ◽  
State Activity ◽  
Classical Transition

Solvent effects, when the classical transition state theory (TST) holds, can be interpreted following the Brønsted equation. However, when calculating the activity coefficient of the transition state, γ# it is important to take into account that this coefficient is different from that of the precursor complex, γPC. The activity coefficient of the latter is, in fact, that calculated in classical treatments of salt and solvent effects. In this paper it is shown how the quotients γ#/γPC change when the reaction medium changes. Therefore, the conclusions taken on the basis of classical treatments may be erroneous.

scholarly journals Real‐time femtosecond probing of ‘‘transition states’’ in chemical reactions

1987 ◽  
Vol 87 (4) ◽  
pp. 2395-2397 ◽  
Author(s):  
Marcos Dantus ◽  
Mark J. Rosker ◽  
Ahmed H. Zewail
Keyword(s):  
Real Time ◽  
Chemical Reactions ◽  
Transition States

Bifurcation of no-return transition states in many-body chemical reactions

2009 ◽  
Vol 130 (12) ◽  
pp. 124116 ◽  
Author(s):  
Chun-Biu Li ◽  
Mikito Toda ◽  
Tamiki Komatsuzaki
Keyword(s):  
Chemical Reactions ◽  
Transition States ◽  
Many Body
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