Barriers and metastable states as saddle points in the replica approach

1993 ◽  
Vol 3 (8) ◽  
pp. 1819-1838 ◽  
Author(s):  
J. Kurchan ◽  
G. Parisi ◽  
M. A. Virasoro
1994 ◽  
Vol 4 (12) ◽  
pp. 1819-1827 ◽  
Author(s):  
M. E. Ferrero ◽  
M. A. Virasoro

1981 ◽  
Vol 42 (C4) ◽  
pp. C4-395-C4-398 ◽  
Author(s):  
M. Wautelet ◽  
R. Andrew ◽  
M. Failly-Lovato ◽  
L. D. Laude

2007 ◽  
Vol 72 (8) ◽  
pp. 1122-1138 ◽  
Author(s):  
Milan Uhlár ◽  
Ivan Černušák

The complex NO+·H2S, which is assumed to be an intermediate in acid rain formation, exhibits thermodynamic stability of ∆Hº300 = -76 kJ mol-1, or ∆Gº300 = -47 kJ mol-1. Its further transformation via H-transfer is associated with rather high barriers. One of the conceivable routes to lower the energy of the transition state is the action of additional solvent molecule(s) that can mediate proton transfer. We have studied several NO+·H2S structures with one or two additional water molecule(s) and have found stable structures (local minima), intermediates and saddle points for the three-body NO+·H2S·H2O and four-body NO+·H2S·(H2O)2 clusters. The hydrogen bonds network in the four-body cluster plays a crucial role in its conversion to thionitrous acid.


2021 ◽  
Vol 103 (2) ◽  
Author(s):  
V. A. Dzuba ◽  
Saleh O. Allehabi ◽  
V. V. Flambaum ◽  
Jiguang Li ◽  
S. Schiller

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