Energetic Analysis of Conjugated Hydrocarbons Using the Interacting Quantum Atoms Method.

Jara-Cortés, Jesús; Hernández-Trujillo, Jesús

Jara-Cortés, Jesús; Hernández-Trujillo, Jesús.

Affiliation

Jara-Cortés J; Departamento de Física y Química Teórica, Facultad de Química, UNAM, México City, 04510, México.
Hernández-Trujillo J; Departamento de Física y Química Teórica, Facultad de Química, UNAM, México City, 04510, México.

J Comput Chem ; 39(18): 1103-1111, 2018 Jul 05.

Article in En | MEDLINE | ID: mdl-29076165

Key words

aromatic molecules; conjugated molecules; electron delocalization; electron density analysis; hydrogen-hydrogen bonding; interacting quantum atoms; nonaromatic molecules

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2018 Document type: Article

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2018 Document type: Article