DFT benchmarking for adsorption energy in wastewater treatment-Reference-Cited by-同舟云学术

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DFT benchmarking for adsorption energy in wastewater treatment

Published:2023-07-31 Issue:23 Volume:121 Page:
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Malloum Alhadji¹²^ORCID,Conradie Jeanet¹³^ORCID

Affiliation:

1. Department of Chemistry, University of the Free State, Bloemfontein, South Africa

2. Department of Physics, Faculty of Science, University of Maroua, Maroua, Cameroon

3. Department of Chemistry, UiT – The Arctic University of Norway, Tromsø, Norway

Funder

South African National Research Foundation

University of the Free State

Center for High Performance Computing

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2023.2241919

Reference50 articles.

1. Sensing behavior of porous B6N6 boron nitride covalent organic framework toward cathinone drugs: A DFT study

2. Evaluation the sensing affinities of propylene oxide towards B2N2 monolayer: A dispersion corrected DFT study

3. Comparative DFT study on the H2 adsorption and the sensing properties of BN-, BP-, AlN-, and AlP-decorated graphene nanoflakes

4. High capacity H2 adsorption over Si4Lin (n = 1–3) binary clusters: A DFT study

5. DFT study of small Re-Pt clusters supported on γ-Al2O3

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1. Adsorption of some cationic dyes onto two models of graphene oxide;Journal of Molecular Modeling;2023-11-18

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