Facile Synthesis of Fe3O4−SiO2 Nanocomposites for Wastewater Treatment

Autor: Muhammad Yaseen, Abbas Khan, Muhammad Humayun, Saima Farooq, Nasrullah Shah, Shaista Bibi, Zafar A. K. Khattak, Ata Ur Rehman, Sajjad Ahmad, Shah Masood Ahmad, Mohamed Bououdina, Habib Ullah

Publikováno v: Macromolecular Materials and Engineering, Vol 308, Iss 7, Pp n/a-n/a (2023)

Abstract Water constitutes ≈70–90% of the organism's body by mass and is highly important for its survival. Water contains a variety of chemical contaminants introduced by various sectors, resulting in contamination that has a direct impact on th

Externí odkaz: https://doaj.org/article/3248fc3eb2f14d0e8c3e40ee41d0c10f

Synergistic Effect of Au–PdO Modified Cu-Doped K2W4O13 Nanowires for Dual Selectivity High Performance Gas Sensing

Autor: Shah Zeb, Yu Cui, Heng Zhao, Ying Sui, Zhen Yang, Zia Ullah Khan, Shah Masood Ahmad, Muhammad Ikram, Yongxiang Gao, Xuchuan Jiang

Publikováno v: ACS Applied Materials & Interfaces. 14:13836-13847

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a68837d8740a46df378bd060f6cf6327
https://doi.org/10.1021/acsami.1c23051

Nature and strength of chalcogen-π bonds

Autor: Laura Orian, Trevor A. Hamlin, F. Matthias Bickelhaupt, Shah Masood Ahmad, Marco Bortoli

Publikováno v: Bortoli, M, Ahmad, S M, Hamlin, T A, Bickelhaupt, F M & Orian, L 2018, ' Nature and strength of chalcogen-π bonds ', Physical Chemistry Chemical Physics, vol. 20, no. 43, pp. 27592-27599 . https://doi.org/10.1039/C8CP05922E
PCCP Physical Chemistry Chemical Physics, 20, 43, pp. 27592-27599
Physical Chemistry Chemical Physics, 20(43), 27592-27599. The Royal Society of Chemistry
PCCP Physical Chemistry Chemical Physics, 20, 27592-27599

Chalcogen-π interactions occur between a covalently bound chalcogen atom that enters into a non-covalent interaction with an unsaturated moiety, a bonding motif found in various structures, such as, proteins. In this work, we have systematically exp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5847c0b3fb8e08207d9d8fe04cb2839
https://hdl.handle.net/1871.1/0ea77b3e-19ba-4042-9b38-490ab3c18944

Counterpoise-corrected energies, NBO, HOMO–LUMO and interaction energies of poly(o-aminophenol) for ammonia sensing by DFT methods

Autor: Anwar-ul-Haq Ali Shah, Shah Masood Ahmad, Salma Bilal, Salma Bibi

Publikováno v: Synthetic Metals. 209:143-149

The response of poly( o -aminophenol) (POAP) both in doped and undoped forms toward NH 3 gas was investigated on the basis of density functional theory (DFT) at B3LYP and UB3LYP/6-31G* level of theory. POAP is unique due to the presence of two potent

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0b1ed099a5c57e03ee8b2e71aa880386
https://doi.org/10.1016/j.synthmet.2015.06.027

Spectral and electronic properties of π-conjugated oligomers and polymers of Poly (o-chloroaniline-co-o-toluidine) calculated with density functional theory

Autor: Shah Masood Ahmad, Khurshid Ayub, Anwar-ul-Haq Ali Shah, Salma Bilal, Salma Bibi

Publikováno v: Synthetic Metals. 205:153-163

Density functional theory (DFT) and time dependent DFT (TD-DFT) calculations have been carried out at the oligomers of poly( o -chloroaniline- co-o- toluidine)(POTOC), poly( o -chloroaniline)(POC) and poly( o- toluidine) (POT). This work discusses co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::07b682a67cdf1e29cd20b2f7223e27e5
https://doi.org/10.1016/j.synthmet.2015.04.005