A computational study on acetaminophen drug complexed with Mn+, Fe2+, Co+, Ni2+, and Cu+ ions: structural analysis, electronic properties, and solvent effects.

Alirezapour, Fahimeh; Bamdad, Kourosh; Khanmohammadi, Azadeh; Ebrahimi, Narjes

A computational study on acetaminophen drug complexed with Mn⁺, Fe²⁺, Co⁺, Ni²⁺, and Cu⁺ ions: structural analysis, electronic properties, and solvent effects.

Alirezapour, Fahimeh; Bamdad, Kourosh; Khanmohammadi, Azadeh; Ebrahimi, Narjes.

Afiliación

Alirezapour F; Department of Chemistry, Payame Noor University (PNU), P.O. Box 19395-4697, Tehran, Iran. falirezapoor@pnu.ac.ir.
Bamdad K; Department of Chemistry, Payame Noor University (PNU), P.O. Box 19395-4697, Tehran, Iran.
Khanmohammadi A; Department of Chemistry, Payame Noor University (PNU), P.O. Box 19395-4697, Tehran, Iran.
Ebrahimi N; Department of Chemistry, Payame Noor University (PNU), P.O. Box 19395-4697, Tehran, Iran.

J Mol Model ; 28(10): 302, 2022 Sep 06.

Article en En | MEDLINE | ID: mdl-36066774

Asunto(s)

Acetaminofén; Modelos Teóricos; Cationes; Electrónica; Solventes

Palabras clave

Acetaminophen; Aromaticity index; DFT; Solvent effect; Stability

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Acetaminofén / Modelos Teóricos Tipo de estudio: Prognostic_studies Idioma: En Revista: J Mol Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2022 Tipo del documento: Article País de afiliación: Irán

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