A. Hassan

发表

Nitric acid, Copper II Nitrite, Sodium Hydroxide, Lead nitrate, Refinery petroleum wastewater, Deionized water

M. Ezeldin, Peel, A. M. Masaad, 2016 .

Exploration of Pull–Push Effect for Novel Photovoltaic Dyes with A–π–D Design: A DFT/TD-DFT Investigation

A. Hassan, S. Sumrra, 2022, Journal of Fluorescence.

Metal Incorporated Sulfonamides as Promising Multidrug Targets: Combined Enzyme Inhibitory, Antimicrobial, Antioxidant and Theoretical Exploration

G. Mustafa, M. Zafar, Muhammad Imran, 2021, Journal of Molecular Structure.

Structurally modulated D-π-D-A(Semiconductor) anchoring dyes to enhance the tunable NLO response: a DFT/TDDFT quest for new photovoltaic materials

M. Nazar, A. Hassan, G. Mustafa, 2022, Structural Chemistry.

In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study

J. Ghogomu, A. Fouegue, A. Hassan, 2023, Molecular diversity.

Structural and Electronic (Absorption and Fluorescence) Properties of a Stable Triplet Diphenylcarbene: A DFT Study

M. Javed, A. Mohyuddin, S. U. Hassan, 2022, Journal of Fluorescence.

Characterization of Organic Acid Producing Aspergillus tubingensis FMS1 and its Role in Metals Leaching from Soil

M. Rafiq, M. Badshah, F. Hasan, 2020, Geomicrobiology Journal.

Optimized production of tannase and gallic acid from fruit seeds by solid state fermentation

S. Saeed, A. Mohyuddin, A. Hassan, 2021 .

Metal incorporated aminothiazole-derived compounds: synthesis, density function theory analysis, in vitro antibacterial and antioxidant evaluation

M. Ashfaq, Muhammad Imran, A. Irfan, 2021, Royal Society Open Science.

Exploring the Bioactive Sites of New Sulfonamide Metal Chelates for Multi-Drug Resistance: An Experimental Versus Theoretical Design

A. Hassan, S. Sumrra, 2021, Journal of Inorganic and Organometallic Polymers and Materials.

Design, facile synthesis, spectroscopic characterization, and medicinal probing of metal‐based new sulfonamide drugs: A theoretical and spectral study

Muhammad Imran, A. Irfan, M. Zafar, 2020 .

Synthesis, characterization, and biological screening of metal complexes of novel sulfonamide derivatives: Experimental and theoretical analysis of sulfonamide crystal

M. Zafar, Muhammad Imran, M. Khalid, 2020 .

New 3d Multifunctional Metal Chelates of Sulfonamide: Spectral, Vibrational, Molecular Modeling, DFT, Medicinal and In Silico Studies

Z. Chohan, Muhammad Imran, A. Hassan, 2022, Journal of Molecular Structure.

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

M. Nazar, A. Hassan, S. Sumrra, 2022, Journal of Molecular Modeling.

Enriching the compositional tailoring of NLO responsive dyes with diversity oriented electron acceptors as visible light harvesters: a DFT/TD-DFT approach

Muhammad Imran, A. Hassan, S. Noreen, 2022, Molecular Physics.

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

M. Nazar, A. Hassan, S. Sumrra, 2022, Journal of Fluorescence.

Theoretical probing of 3d nano metallic clusters as next generation non-linear optical materials

A. Hassan, S. Sumrra, N. K. Nkungli, 2022, Results in Chemistry.

New organosulfur metallic compounds as potent drugs: synthesis, molecular modeling, spectral, antimicrobial, drug likeness and DFT analysis

M. Zafar, M. Nazar, M. Iqbal, 2021, Molecular Diversity.

New organosulfur metallic compounds as potent drugs: synthesis, molecular modeling, spectral, antimicrobial, drug likeness and DFT analysis

M. Zafar, M. Nazar, E. Mughal, 2021, Molecular Diversity.

Molecular modeling of mordant black dye for future applications as visible light harvesting materials with anchors: design and excited state dynamics

Muhammad Imran, A. Hassan, S. Sumrra, 2023, Journal of Molecular Modeling.

Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials

M. Javed, A. Mohyuddin, S. U. Hassan, 2022, Structural Chemistry.

A review on ‘sulfonamides’: their chemistry and pharmacological potentials for designing therapeutic drugs in medical science

Z. Chohan, A. Hassan, S. Sumrra, 2023, Journal of Coordination Chemistry.

Enriching the electronic populations of D-π-A type ON-OFF solar switches with sp hybridization: A TD-DFT possibility to create pull-push effect

Yuchuan Li, A. Hassan, S. Noreen, 2023, Computational and Theoretical Chemistry.

DFT-guided structural modeling of end-group acceptors at Y123 core for sensitizers as high-performance organic solar dyes and NLO responses

M. Zafar, A. Mohyuddin, A. Hassan, 2023, Journal of Molecular Modeling.

Correlating the charge density and structural fabrication of new organic dyes to create visible light harvesting materials with tunable NLO refining: insights from DFT

M. Imran, A. Hassan, S. Noreen, 2023, Chemické zvesti.

THEORETICAL EVALUATION OF THE PERMEABILITY OF DISCHARGE ITEM (LiOOH) IN Li-O2 BATTERIES

A. Hassan, Cihat Guleryuz, 2021, Latin American Applied Research - An international journal.

Creating intense and refined NLO responses by utilizing dual donor structural designs in A-π-D-π-D-π-A type organic switches: computed device parameters

Muhammad Imran, A. Mohyuddin, A. Hassan, 2023, Structural Chemistry.

Enhancing NLO performance by utilizing tyrian purple dye as donor moiety in organic DSSCs with end capped acceptors: A theoretical study.

Muhammad Imran, A. Hassan, S. Noreen, 2023, Journal of molecular graphics & modelling.

Novel pull–push solar switches with a D-π-D-π-A framework of the thiophene core: computed absorbance/fluorescence ability with device parameters

A. Mohyuddin, M. Imran, A. Hassan, 2023, Structural Chemistry.

DFT exploration: Optical and conduction band switching in indaceno donor moiety and its TiO2 adsorbed complexes for an efficient ON-OFF ratio

A. Hassan, S. Noreen, Saima Noreen, 2023, Materials Science and Engineering: B.

Photovoltaic and Optical Characterization of Organic Heterocyclic 6,6′‐Dibromoindigotin Crystal Under Changing Solvent Polarity by DFT Analysis

A. Hassan, S. Sumrra, Yuchuan Li, 2023, Crystal Research and Technology.

Electrochemical sensing and detection of phosgene and thiophosgene chemical warfare agents (CWAs) by all-boron B38 fullerene analogue: a DFT insight

T. Ahamad, Abida Anwar, A. Hassan, 2024, Zeitschrift für Physikalische Chemie.

How much length of boron-nitride incorporated benzene like structures can produce efficient harmonic generation at their low-lying excited states?

A. Hassan, Yuchuan Li, 2024, Materials Today Communications.

Design and Exploration of Benzene Like Azobis Triazoles for Long-range Push-Pull Photo-Switching Attributes

A. Hassan, S. Sumrra, Ghulam Mustafa, 2023, Journal of fluorescence.

Structure-based screening of sp2 hybridized small donor bridges as donor: acceptor switches for optical and photovoltaic applications: DFT way.

A. Hassan, S. Sumrra, 2024, Journal of molecular modeling.

Deciphering the impact of superalkali metals [M3O (M = Li, Na, K)] doping on sulflower for enhanced NLO responses with efficient energetic offsets: A density functional theory perspective

M. A. Gilani, A. Hassan, Junaid Yaqoob, 2024, Computational and Theoretical Chemistry.

Investigating the potential of monocyclic B9N9 and C18 rings for the electrochemical sensing, and adsorption of carbazole-based anti-cancer drug derivatives: DFT-based first-principle study.

T. Ahamad, M. A. Gilani, A. Hassan, 2024, Journal of molecular modeling.

Elucidating the mechanistic sensing capability of novel tetragonal graphene quantum dot towards tobacco alkaloids: a DFT study

M. A. Gilani, A. Hassan, Muhammad Usman Khan, 2024, Structural Chemistry.

Silver hybridized polymer nanocomposite for efficient encapsulation of toxic dye from aqueous solution

A. Hassan, Wajad Ulfat, Saeed Ahmed, 2023, Nanotechnology for Environmental Engineering.

Molecular Engineering for UV-Vis to NIR Absorption/Emission Bands of Pyrazine-based A-π-D- π-A Switches to Design TiO2 Tuned Dyes: DFT Insights.

Z. Chohan, A. Hassan, S. Sumrra, 2024, Journal of fluorescence.