A DFT study on the adsorption and dissociation of N-Nitrosodimethylamine on a Ni

Dimethylnitrosamine Adsorption Water Water Pollutants, Chemical
Adsorption DFT Dissociation NDMA Ni nanocluster

Journal

Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237

Informations de publication

Date de publication:
12 2023
Historique:
received: 03 04 2023
revised: 26 07 2023
accepted: 27 07 2023
medline: 25 9 2023
pubmed: 8 8 2023
entrez: 8 8 2023
Statut: ppublish

Résumé

N-Nitrosodimethylamine (NDMA, ONN(CH

Identifiants

DOI: 10.1016/j.jmgm.2023.108578 PMID: 37552910
pubmed: 37552910
pii: S1093-3263(23)00176-6
doi: 10.1016/j.jmgm.2023.108578
pii:
doi:

Substances chimiques

Dimethylnitrosamine M43H21IO8R
Water 059QF0KO0R
Water Pollutants, Chemical 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

108578

Informations de copyright

Copyright © 2023 Elsevier Inc. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Auteurs

Nahuel Moreno Yalet (N)

CCT-La Plata-CONICET. Instituto de Investigaciones Fisico-químicas Teóricas y Aplicadas (INIFTA), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Calle 64 y diagonal 113 (1900) La Plata, Argentina.

Pablo L Dammig Quiña (PL)

CCT-La Plata-CONICET. Instituto de Investigaciones Fisico-químicas Teóricas y Aplicadas (INIFTA), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Calle 64 y diagonal 113 (1900) La Plata, Argentina.

Víctor A Ranea (VA)

CCT-La Plata-CONICET. Instituto de Investigaciones Fisico-químicas Teóricas y Aplicadas (INIFTA), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Calle 64 y diagonal 113 (1900) La Plata, Argentina. Electronic address: vranea@inifta.unlp.edu.ar.

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Classifications MeSH

questionsmedicales.fr › Composés chimiques organiques › Composés nitrosés › Nitrosamines › N-Méthyl-N-nitroso-méthanamine › A DFT study on the adsorption and dissociation...
questionsmedicales.fr › Phénomènes chimiques › Adsorption › A DFT study on the adsorption and dissociation...
questionsmedicales.fr › Produits chimiques inorganiques › Composés de l'oxygène › Oxydes › Eau › A DFT study on the adsorption and dissociation...
questionsmedicales.fr › Actions chimiques et utilisations › Actions toxiques › Polluants environnementaux › Polluants de l'eau › Polluants chimiques de l'eau › A DFT study on the adsorption and dissociation...