A Theoretical Determination of the Low-lying Electronic States of the p-Benzosemiquinone Radical Anion

6533b873fe1ef96bd12d5f83

RESEARCH PRODUCT

A Theoretical Determination of the Low-lying Electronic States of the p-Benzosemiquinone Radical Anion

Niclas Forsberg Manuela Merchán And Enrique Ortí Luis Serrano-andrés Rosendo Pou-amérigo

subject

Colloid and Surface Chemistry Chemistry Physics::Atomic and Molecular Clusters Physics::Atomic Physics General Chemistry Physics::Chemical Physics Perturbation theory Atomic physics Biochemistry Catalysis Ion Electronic states

description

The low-lying electronic states of the p-benzosemiquinone radical anion are studied using multiconfigurational second-order perturbation theory (CASPT2) and extended atomic natural orbital (ANO) ba...

year	journal	country	edition	language
2000-06-01	Journal of the American Chemical Society

https://doi.org/10.1021/ja994402m

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