Open Shell Atomic Beam Scattering and the Spin Orbit Dependence of Potential Energy Surfaces

1988 ◽  
pp. 179-194
Author(s):  
V. Aquilanti ◽  
R. Candori ◽  
G. Liuti ◽  
F. Pirani
Keyword(s):  
Potential Energy ◽  
Atomic Beam ◽  
Potential Energy Surfaces ◽  
Open Shell ◽  
Spin Orbit ◽  
Beam Scattering ◽  
Energy Surfaces

scholarly journals Photodissociation of the CH3O and CH3S radical molecules: an ab initio electronic structure study

2017 ◽  
Vol 19 (46) ◽  
pp. 31245-31254 ◽  
Author(s):  
A. Bouallagui ◽  
A. Zanchet ◽  
O. Yazidi ◽  
N. Jaïdane ◽  
L. Bañares ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Structure Study ◽  
Spin Orbit ◽  
Energy Surfaces ◽  
Ab Initio Electronic Structure

Potential-energy surfaces and spin–orbit couplings involved in the photodissociation of the CH3O and CH3S radicals have been investigated.

scholarly journals Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states

2015 ◽  
Vol 142 (10) ◽  
pp. 104302 ◽  
Author(s):  
Rui Sun ◽  
Giovanni Granucci ◽  
Amit K. Paul ◽  
Matthew Siebert ◽  
Hongliang J. Liang ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Spin Orbit ◽  
Energy Surfaces

scholarly journals Dynamics of chemical reactions of astrophysical interest

1997 ◽  
Vol 178 ◽  
pp. 271-280 ◽  
Author(s):  
M. Alagia ◽  
N. Balucani ◽  
L. Cartechini ◽  
P. Casavecchia ◽  
G.G. Volpi
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Chemical Reactions ◽  
Potential Energy Surfaces ◽  
Experimental Results ◽  
Empirical Potential ◽  
Beam Scattering ◽  
Scattering Technique ◽  
Energy Surfaces ◽  
Semi Empirical

The dynamics of the astrophysically relevant reactions OH + H2,OH+CO,N(2D)+C2H2 and O(1D)+H2 are studied using the crossed beam scattering technique. Comparisons of the experimental results with those of dynamics calculations on ab initio and semi-empirical potential energy surfaces are discussed.

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