Excited State-Specific CASSCF Theory for the Torsion of Ethylene

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The allene radical cation can be stabilized both by Jahn-Teller distortion of the bond lengths and by torsion of the end-groups. However, only the latter happens and the allene radical cation relaxes into a twisted D-2 symmetry structure with equal double- ...

Over the past twenty years, photochemical transformations have gained in importance in organic chemistry. Indeed, the development of photocatalysts has allowed the use of visible light as an energy source for chemical transformations. More specifically, ph ...

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

Chattez avec Graph Search

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