ChemInform Abstract: A SEMIEMPIRICAL POTENTIAL ENERGY SURFACE FOR CHEMILUMINESCENT ELECTRON-TRANSFER REACTIONS. PART 1

1981 ◽  
Vol 12 (10) ◽  
Author(s):  
F. F. DI GIACOMO
Keyword(s):  
Electron Transfer ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Transfer Reactions ◽  
Electron Transfer Reactions

scholarly journals On the development of a gold-standard potential energy surface for the OH− + CH3I reaction

2020 ◽  
Vol 22 (7) ◽  
pp. 3775-3778 ◽  
Author(s):  
Domonkos A. Tasi ◽  
Tibor Győri ◽  
Gábor Czakó
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Gold Standard ◽  
Energy Surface ◽  
Transfer Reactions ◽  
Standard Potential ◽  
Proton Transfer Reactions

We develop the first accurate full-dimensional ab initio PES for the OH− + CH3I SN2 and proton-transfer reactions treating the failure of CCSD(T) at certain geometries.

scholarly journals High-level ab initio potential energy surface and dynamics of the F−+ CH3I SN2 and proton-transfer reactions

2017 ◽  
Vol 8 (4) ◽  
pp. 3164-3170 ◽  
Author(s):  
Balázs Olasz ◽  
István Szabó ◽  
Gábor Czakó
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Transfer Reactions ◽  
Proton Transfer Reactions ◽  
High Level

The first analyticalab initiopotential energy surface reveals the dynamics and different mechanisms of the F−+ CH3I reaction.

Influence of the potential energy surface on the cross sections for deeply inelastic transfer reactions induced by heavy ions

1984 ◽  
Vol 413 (3) ◽  
pp. 489-502
Author(s):  
R. Bimbot ◽  
D. Gardes ◽  
L. De Reilhac ◽  
M.F. Rivet ◽  
A. Fleury ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Cross Sections ◽  
Heavy Ions ◽  
Energy Surface ◽  
Transfer Reactions ◽  
The Cross
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