M. Asif

发表

First-principles study for electrochemical sensing of neurotoxin hydrazine derivatives via h-g-C3N4 quantum dot

M. A. Gilani, K. Ayub, T. Mahmood, 2022, Surfaces and Interfaces.

A first principles study on electrochemical sensing of highly toxic pesticides by using porous C4N nanoflake

K. Ayub, T. Mahmood, Hasnain Sajid, 2022 .

Electrochemical sensing of heptazine graphitic C3N4 quantum dot for chemical warfare agents; a quantum chemical approach

M. A. Gilani, K. Ayub, T. Mahmood, 2022, Materials Science in Semiconductor Processing.

Superhalogen doping of aromatic heterocycles; effective approach for the enhancement of static and dynamic NLO response

M. A. Gilani, K. Ayub, T. Mahmood, 2022, Vacuum.

Electrochemical sensing behavior of graphdiyne nanoflake towards uric acid: a quantum chemical approach

M. A. Gilani, K. Ayub, T. Mahmood, 2021, Journal of Molecular Modeling.

An Overview on Biological Importance of Pyrrolone and Pyrrolidinone Derivatives as Promising Scaffolds

M. Asif, S. Alghamdi, 2021, Russian Journal of Organic Chemistry.

Synthesis of some new 1-(5-((1H-pyrazol-1-yl)methyl)-2-aryl-1,3,4-oxadiazol-3(2H)-yl) ethanone derivatives and study their antimicrobial activity

M. Asif, S. Alghamdi, Alshehri Mm, 2021 .

Nano-porous C4N as a toxic pesticide's scavenger: A quantum chemical approach.

K. Ayub, T. Mahmood, Hasnain Sajid, 2021, Journal of molecular graphics & modelling.

Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome

M. A. Gilani, K. Ayub, T. Mahmood, 2021, Surfaces and Interfaces.

Highly accurate DFT investigation for triggering the ultra-strong static and dynamic nonlinear optical properties of superalkali doped aminated graphdiyne (NH2-GDY) donor-π-acceptor (D-π-A) quantum dots

K. Ayub, T. Mahmood, Hasnain Sajid, 2022, Polyhedron.

Therapeutic potential of oxo-triarylmethyl (oxTAM) as a targeted drug delivery system for nitrosourea and fluorouracil anticancer drugs; A first principles insight.

M. A. Gilani, K. Ayub, T. Mahmood, 2023, Journal of molecular graphics & modelling.

Effect of fluorination on the adsorption properties of aromatic heterocycles toward methyl halides: A quantum chemical study

T. Mahmood, Hasnain Sajid, Naveen Kosar, 2021 .

Quantum chemical study on sensing of NH3, NF3, NCl3 and NBr3 by using cyclic tetrapyrrole

Faizan Ullah, K. Ayub, T. Mahmood, 2021 .

Chiral Recognition of Amino Acids Using CC2 Porous Organic Cages.

Muhammad Ali Hashmi, R. Ludwig, K. Ayub, 2023, The journal of physical chemistry. A.

Nonlinear Optical Properties and Phototunable Absorption of a Substituted Dihydroazulene–Vinylheptafulvene Pair of Photochromes

K. Ayub, M. Asif, I. Bayach, 2023, ACS omega.

Therapeutic efficiency of B3O3 quantum dot as a targeted drug delivery system toward Foscarnet anti-HIV drug

K. Ayub, T. Mahmood, Hasnain Sajid, 2023, Computational and Theoretical Chemistry.

Boron-rich triphenylene COF based electrides having excellent nonlinear optical activity

K. Ayub, T. Mahmood, Hasnain Sajid, 2023, Materials Science in Semiconductor Processing.

Polaronic state of conducting oligomer as a new approach to design non-lieaner optical materials: A case study of oligofurans.

K. Ayub, M. Asif, Iqra Ejaz, 2023, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Exploring the Sensing Potential of g-C3N4 versus Li/g-C3N4 Nanoflakes toward Hazardous Organic Volatiles: A DFT Simulation Study

M. A. Gilani, K. Ayub, Hasnain Sajid, 2024, ACS Omega.