Non-covalent interactions between epinephrine and nitroaromatic compounds: A DFT study.

Bandyopadhyay, Prasanta; Karmakar, Animesh; Deb, Jyotirmoy; Sarkar, Utpal; Seikh, Md Motin

Bandyopadhyay, Prasanta; Karmakar, Animesh; Deb, Jyotirmoy; Sarkar, Utpal; Seikh, Md Motin.

Affiliation

Bandyopadhyay P; Department of Chemistry, Visva-Bharati University, Santiniketan 731235, West Bengal, India. Electronic address: mailprasanta88@gmail.com.
Karmakar A; Department of Chemistry, Visva-Bharati University, Santiniketan 731235, West Bengal, India.
Deb J; Department of Physics, Assam University, Silchar 788011, India.
Sarkar U; Department of Physics, Assam University, Silchar 788011, India.
Seikh MM; Department of Chemistry, Visva-Bharati University, Santiniketan 731235, West Bengal, India. Electronic address: mdmotin.seikh@visva-bharati.ac.in.

Spectrochim Acta A Mol Biomol Spectrosc ; 228: 117827, 2020 Mar 05.

Article in En | MEDLINE | ID: mdl-31787535

Subject(s)
Key words

Chemical reactivity parameters; Density functional theory (DFT); Epinephrine; Hydrogen bonding; Natural bond orbital (NBO); Non-covalent interaction (NCI)

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Spectrophotometry, Infrared / Epinephrine / Hydrogen Bonding / Nitro Compounds Language: En Journal: Spectrochim Acta A Mol Biomol Spectrosc Journal subject: BIOLOGIA MOLECULAR Year: 2020 Document type: Article

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