Nano-porous C

Molecular Dynamics Simulation Pesticides / toxicity Porosity Quantum Theory Spectroscopy, Fourier Transform Infrared
C(4)N Carbamates Gaussian09 Sensing ωB97XD

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:
03 2022
Historique:
received: 20 05 2021
revised: 11 11 2021
accepted: 12 11 2021
pubmed: 27 11 2021
medline: 1 2 2022
entrez: 26 11 2021
Statut: ppublish

Résumé

The sensing affinity of C

Identifiants

DOI: 10.1016/j.jmgm.2021.108078 PMID: 34826716
pubmed: 34826716
pii: S1093-3263(21)00249-7
doi: 10.1016/j.jmgm.2021.108078
pii:
doi:

Substances chimiques

Pesticides 0

Types de publication

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

Langues

eng

Sous-ensembles de citation

IM

Pagination

108078

Informations de copyright

Copyright © 2021 Elsevier Inc. All rights reserved.

Auteurs

Misbah Asif (M)

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

Hasnain Sajid (H)

School of Science and Technology, Nottingham Trent University, Clifton Lane, Nottingham, NG11 8NS, UK.

Khurshid Ayub (K)

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

Adnan Ali Khan (AA)

Center for Computational Materials Science, University of Malakand, Pakistan; Department of Chemistry, University of Malakand, Pakistan.

Rashid Ahmad (R)

Center for Computational Materials Science, University of Malakand, Pakistan; Department of Chemistry, University of Malakand, Pakistan.

Muhammad Ans (M)

Department of Chemistry, University of Agriculture, Faisalabad, Punjab, Pakistan.

Tariq Mahmood (T)

Department of Chemistry, COMSATS University, Abbottabad Campus, Abbottabad, 22060, Pakistan; Department of Chemistry, College of Science, University of Bahrain, P.O. Box 32038, Bahrain. Electronic address: mahmood@cuiatd.edu.pk.

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Classifications MeSH

questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Nano-porous C
questionsmedicales.fr › Actions chimiques et utilisations › Actions toxiques › Pesticides › Nano-porous C
questionsmedicales.fr › Phénomènes physiques › Phénomènes mécaniques › Porosité › Nano-porous C
questionsmedicales.fr › Disciplines des sciences naturelles › Physique › Physique nucléaire › Théorie quantique › Nano-porous C
questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Analyse spectrale › Spectrophotométrie › Spectrophotométrie IR › Spectroscopie infrarouge à transformée de Fourier › Nano-porous C