High-level studies of the ionic states of norbornadiene and quadricyclane, including analysis of new experimental photoelectron spectra by configuration interaction and coupled cluster calculations.

Palmer, Michael H; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Aitken, R Alan; Hoffmann, Søren Vrønning; Jones, Nykola C; Peureux, Coralyse

Palmer, Michael H; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Aitken, R Alan; Hoffmann, Søren Vrønning; Jones, Nykola C; Peureux, Coralyse.

Afiliação

Palmer MH; School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland, United Kingdom.
Coreno M; ISM-CNR, Istituto di Struttura Della Materia, LD2 Unit, 34149 Trieste, Italy.
de Simone M; IOM-CNR Laboratorio TASC, Trieste, Italy.
Grazioli C; IOM-CNR Laboratorio TASC, Trieste, Italy.
Aitken RA; School of Chemistry, University of St Andrews, North Haugh, St Andrews, Fife KY16 9ST, Scotland, United Kingdom.
Hoffmann SV; ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C, Denmark.
Jones NC; ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C, Denmark.
Peureux C; School of Chemistry, University of St Andrews, North Haugh, St Andrews, Fife KY16 9ST, Scotland, United Kingdom.

J Chem Phys ; 153(20): 204303, 2020 Nov 28.

Article em En | MEDLINE | ID: mdl-33261475

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article