d-AO spherical aromaticity in Ce6O8.

Yu, Xiaohu; Oganov, Artem R; Popov, Ivan A; Boldyrev, Alexander I

Yu, Xiaohu; Oganov, Artem R; Popov, Ivan A; Boldyrev, Alexander I.

Afiliación

Yu X; Department of Problems of Physics and Energetics, Moscow Institute of Physics and Technology, 9 Institutskiy Land, Dolgoprudny City, Moscow Region, 141700, Russia.
Oganov AR; Department of Problems of Physics and Energetics, Moscow Institute of Physics and Technology, 9 Institutskiy Land, Dolgoprudny City, Moscow Region, 141700, Russia.
Popov IA; Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 5 Nobel St., Moscow, 143026, Russia.
Boldyrev AI; Department of Geosciences and Center for Materials by Design, Stony Brook University, Stony Brook, New York, 11794.

J Comput Chem ; 37(1): 103-9, 2016 Jan 05.

Article en En | MEDLINE | ID: mdl-26284694

Palabras clave

Ce6O8; chemical bonding; d-AO aromaticity; evolutionary program; natural bond orbital analysis

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2016 Tipo del documento: Article País de afiliación: Rusia

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