Janus alkaline earthides with excellent NLO response from sodium and potassium as source of excess electrons; a first principles study.

Electrons Ions Potassium Quantum Theory Sodium
Alkaline earthides Electronic stability Nonlinear optical response Two level model

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:
11 2020
Historique:
received: 20 04 2020
revised: 08 06 2020
accepted: 09 06 2020
pubmed: 14 7 2020
medline: 22 6 2021
entrez: 14 7 2020
Statut: ppublish

Résumé

Alkaline earthide is a well-known class of the excess electron compounds with potential applications as NLO materials. In this study, all-cis-1,2,3,4,5,6-hexafluor-ocyclohexane C

Identifiants

DOI: 10.1016/j.jmgm.2020.107668 PMID: 32659631
pubmed: 32659631
pii: S1093-3263(20)30457-5
doi: 10.1016/j.jmgm.2020.107668
pii:
doi:

Substances chimiques

Ions 0
Sodium 9NEZ333N27
Potassium RWP5GA015D

Types de publication

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

Langues

eng

Sous-ensembles de citation

IM

Pagination

107668

Informations de copyright

Copyright © 2020 Elsevier Inc. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of competing interest The authors have no affiliation with any organization with a direct or indirect financial interest in the subject matter discussed in the manuscript.

Auteurs

Saira Sajjad (S)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, KPK, 22060, Pakistan.

Akhtar Ali (A)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, KPK, 22060, Pakistan.

Tariq Mahmood (T)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, KPK, 22060, Pakistan. Electronic address: mahmood@cuiatd.edu.pk.

Khurshid Ayub (K)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, KPK, 22060, Pakistan. Electronic address: khurshid@cuiatd.edu.pk.

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Classifications MeSH

questionsmedicales.fr › Phénomènes physiques › Phénomènes magnétiques › Phénomènes électromagnétiques › Électrons › Janus alkaline earthides with excellent NLO...
questionsmedicales.fr › Produits chimiques inorganiques › Électrolytes › Ions › Janus alkaline earthides with excellent NLO...
questionsmedicales.fr › Produits chimiques inorganiques › Métaux › Métaux légers › Potassium › Janus alkaline earthides with excellent NLO...
questionsmedicales.fr › Disciplines des sciences naturelles › Physique › Physique nucléaire › Théorie quantique › Janus alkaline earthides with excellent NLO...
questionsmedicales.fr › Produits chimiques inorganiques › Métaux › Métaux légers › Sodium › Janus alkaline earthides with excellent NLO...