Ab initio investigation of ground and excited states of ScH molecule.

Tabet, J; Adem, Z; Taher, F

Tabet, J; Adem, Z; Taher, F.

Afiliação

Tabet J; Lebanese University, Faculty of Sciences II, Research Platform in Nanosciences and Nanotechnology, Laboratory of Experiments and Computation of Materials and Molecules (EC2M), P.O. Box: 90656, Campus Fanar, Lebanon. Electronic address: Jeantabet@gmail.com.
Adem Z; Lebanese University, Faculty of Sciences II, Research Platform in Nanosciences and Nanotechnology, Laboratory of Experiments and Computation of Materials and Molecules (EC2M), P.O. Box: 90656, Campus Fanar, Lebanon; Allianstic Research Laboratory, EFREI Paris, 30/32 Avenue de la République, 94800 Villejuif, France. Electronic address: ziadadem@hotmail.com.
Taher F; Lebanese University, Faculty of Sciences II, Research Platform in Nanosciences and Nanotechnology, Laboratory of Experiments and Computation of Materials and Molecules (EC2M), P.O. Box: 90656, Campus Fanar, Lebanon; Lebanese University, Faculty of Engineering III, Laboratory of Molecular Quantum Mechanics and Modeling (MQMM), Hadath Campus, Lebanon. Electronic address: ftaher@ul.edu.lb.

Spectrochim Acta A Mol Biomol Spectrosc ; 256: 119742, 2021 Jul 15.

Article em En | MEDLINE | ID: mdl-33839638

Palavras-chave

CASSCF/MRCI; Electronic structure; PECs; Scandium Hydride ScH; Spectroscopic constants

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Spectrochim Acta A Mol Biomol Spectrosc Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2021 Tipo de documento: Article País de publicação: Reino Unido

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