The C8H8 Radical Cations of Cyclooctatetraene, Semibullvalene, and Their Common Bisallylic Rearrangement Product: Electronic Structure and Potential Energy Surfaces

1995 ◽  
Vol 117 (30) ◽  
pp. 7916-7922 ◽  
Author(s):  
Thomas Bally ◽  
Leo Truttmann ◽  
Ffrancon Williams ◽  
Sheng Dai
Keyword(s):  
Electronic Structure ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Radical Cations ◽  
Rearrangement Product ◽  
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.

Tunneling Isomerizations on the Potential Energy Surfaces of Formaldehyde and Methanol Radical Cations

2017 ◽  
Vol 1 (6) ◽  
pp. 361-367 ◽  
Author(s):  
J. Philipp Wagner ◽  
Marcus A. Bartlett ◽  
Wesley D. Allen ◽  
Michael A. Duncan
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Radical Cations ◽  
Energy Surfaces
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