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Dr. Abrar Ul Hassan
Dr. Abrar Ul Hassan
Beijing Institute of Technology, Beijing, P.R. China
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Cited by
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Year
New organosulfur metallic compounds as potent drugs: synthesis, molecular modeling, spectral, antimicrobial, drug likeness and DFT analysis
AU Hassan, SH Sumrra, MN Zafar, MF Nazar, EU Mughal, MN Zafar, ...
Molecular Diversity 26, 51-72, 2022
702022
Synthesis, characterization, and biological screening of metal complexes of novel sulfonamide derivatives: Experimental and theoretical analysis of sulfonamide crystal
SH Sumrra, AU Hassan, M Imran, M Khalid, EU Mughal, MN Zafar, ...
Applied Organometallic Chemistry 34 (7), e5623, 2020
552020
New 3d multifunctional metal chelates of sulfonamide: Spectral, vibrational, molecular modeling, DFT, medicinal and in silico studies
AU Hassan, SH Sumrra, M Imran, ZH Chohan
Journal of Molecular Structure 1254, 132305, 2022
532022
Metal Incorporated Sulfonamides as Promising Multidrug Targets: Combined Enzyme Inhibitory, Antimicrobial, Antioxidant and Theoretical Exploration
SH Sumrra, AU Hassan, MN Zafar, SS Shafqat, G Mustafa, MN Zafar, ...
Journal of Molecular Structure 1250 (2), 131710, 2022
512022
Exploring the bioactive sites of new sulfonamide metal chelates for multi-drug resistance: An experimental versus theoretical design
AU Hassan, SH Sumrra
Journal of Inorganic and Organometallic Polymers and Materials 32, 513-535, 2022
512022
Removal of Cd (II) and Pb (II) from synthetic wastewater using Rosa damascena waste as a biosorbent: An insight into adsorption mechanisms, kinetics, and thermodynamic studies
F Batool, A Mohyuddin, A Amjad, A ul Hassan, S Nadeem, M Javed, ...
Chemical Engineering Science 280, 119072, 2023
502023
Metal incorporated aminothiazole-derived compounds: synthesis, density function theory analysis, in vitro antibacterial and antioxidant evaluation
SH Sumrra, Z Arshad, W Zafar, K Mahmood, M Ashfaq, AU Hassan, ...
Royal Society open science 8 (9), 210910, 2021
482021
Design, facile synthesis, spectroscopic characterization, and medicinal probing of metal‐based new sulfonamide drugs: A theoretical and spectral study
AU Hassan, SH Sumrra, MA Raza, M Zubair, MN Zafar, EU Mughal, ...
Applied Organometallic Chemistry 35 (1), e6054, 2021
462021
A review on ‘sulfonamides’: their chemistry and pharmacological potentials for designing therapeutic drugs in medical science
W Zafar, SH Sumrra, AU Hassan, ZH Chohan
Journal of Coordination Chemistry 76 (5-6), 546-580, 2023
402023
Enriching the compositional tailoring of NLO responsive dyes with diversity oriented electron acceptors as visible light harvesters: a DFT/TD-DFT approach
AU Hassan, SH Sumrra, W Zafar, M Imran, S Noreen, M Irfan
Molecular Physics 121 (1), e2148585, 2023
382023
Optimized production of tannase and gallic acid from fruit seeds by solid state fermentation
R Arshad, A Mohyuddin, S Saeed, AU Hassan
Tropical Journal of Pharmaceutical Research 18 (5), 911-918, 2019
352019
Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials
AU Hassan, A Mohyuddin, C Güleryüz, S Nadeem, NK Nkungli, ...
Structural Chemistry 34 (2), 399-412, 2023
332023
Structurally modulated D-π-D-A(Semiconductor) anchoring dyes to enhance the tunable NLO response: a DFT/TDDFT quest for new photovoltaic materials
AU Hassan, SH Sumrra, M Zubair, G Mustafa, MF Nazar, MN Zafar
Structural Chemistry 34 (3), 1043-1060, 2023
312023
Structural and electronic (absorption and fluorescence) properties of a stable triplet diphenylcarbene: a DFT study
AU Hassan, A Mohyuddin, S Nadeem, C Güleryüz, SU Hassan, M Javed, ...
Journal of Fluorescence 32 (5), 1629-1638, 2022
302022
Exploration of pull–push effect for novel photovoltaic dyes with A–π–D design: a DFT/TD-DFT investigation
AU Hassan, SH Sumrra
Journal of Fluorescence 32 (6), 1999-2014, 2022
282022
Efficient and tunable enhancement of NLO performance for indaceno-based donor moiety in A-π-D-π-D-π-A type first DSSC design by end-capped acceptors
AU Hassan, SH Sumrra, G Mustafa, MF Nazar, MN Zafar
Journal of Molecular Modeling 29 (1), 4, 2023
262023
A DFT study on new photovoltaic dyes to investigate their NLO tuning at near infrared region (NIR) as pull–push effect by end capped acceptors
AU Hassan, SH Sumrra, MF Nazar, C Güleryüz
Journal of Fluorescence 33 (1), 239-253, 2023
252023
Theoretical evaluation of the permeability of discharge item (LiOOH) in Li-O-2 batteries
AU Hassan, C Guleryuz
Lat Am Appl Res 51, 153-157, 2021
232021
Correlating the charge density and structural fabrication of new organic dyes to create visible light harvesting materials with tunable NLO refining: insights from DFT
AU Hassan, SH Sumrra, M Zubair, G Mustafa, S Noreen, M Imran
Chemical Papers 77 (10), 6183-6202, 2023
222023
Molecular modeling of mordant black dye for future applications as visible light harvesting materials with anchors: design and excited state dynamics
AU Hassan, SH Sumrra, G Mustafa, M Zubair, A Mohyuddin, NK Nkungli, ...
Journal of Molecular Modeling 29 (3), 74, 2023
212023
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