A first principle study of heme molecule as an active adsorbent for halogenated hydrocarbons.

Suresh, Rahul; Anithaa, V S; Shankar, R; Subramaniam, Vijayakumar

Suresh, Rahul; Anithaa, V S; Shankar, R; Subramaniam, Vijayakumar.

Afiliação

Suresh R; Department of Physics, Bharathiar University, Coimbatore, India.
Anithaa VS; Department of Physics, Bharathiar University, Coimbatore, India.
Shankar R; Department of Physics, Bharathiar University, Coimbatore, India.
Subramaniam V; Department of Medical Physics, Bharathiar University, Coimbatore, India. svijayakumar@buc.edu.in.

J Mol Model ; 27(7): 209, 2021 Jun 25.

Article em En | MEDLINE | ID: mdl-34173064

Assuntos

Heme/química; Hidrocarbonetos Halogenados/química; Modelos Moleculares; Adsorção; Teoria da Densidade Funcional; Termodinâmica

Palavras-chave

Adsorption; DFT; Haloalkenes; Heme

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Modelos Moleculares / Heme / Hidrocarbonetos Halogenados Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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