Shabbir Muhammad

Abha, 61413, Saudi Arabia

Last Updated: 09/26/2026

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Found 78 publications

Benzothiadiazole as a strategic central core or a better terminal acceptor for enhanced nonlinear optical and photovoltaic properties.

Benzothiadiazole as a strategic central core or a better terminal acceptor for enhanced nonlinear optical and photovoltaic properties.

Journal: Journal of molecular graphics & modelling

Published: May 18, 2026

Quantum chemical prediction and benchmark study for structural isomers of terpyridine: electronic structure modulations and charge transfer dynamics.

Quantum chemical prediction and benchmark study for structural isomers of terpyridine: electronic structure modulations and charge transfer dynamics.

Journal: Physical chemistry chemical physics : PCCP

Published: February 20, 2026

Synergistic impact of organic and inorganic features in carborane hybrids for nonlinear optics and solvent-tunable properties.

Synergistic impact of organic and inorganic features in carborane hybrids for nonlinear optics and solvent-tunable properties.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: May 02, 2025

The exploring AI-generated pyrazalone derivatives as antifungal agents: Bringing together molecular docking and quantum chemical approaches.

The exploring AI-generated pyrazalone derivatives as antifungal agents: Bringing together molecular docking and quantum chemical approaches.

Journal: Computational biology and chemistry

Published: March 16, 2025

Systematic Computational Designing of Efficient Phenalene and Pyrene Based Derivatives to Tune the Optical and Nonlinear Optical Response.

Systematic Computational Designing of Efficient Phenalene and Pyrene Based Derivatives to Tune the Optical and Nonlinear Optical Response.

Journal: Journal of fluorescence

Published: February 10, 2025

Optimizing nonlinear optical and photovoltaic performance in butterfly-shaped carbazole vs. borole derivatives: An implicit and explicit solvents-driven approach.

Optimizing nonlinear optical and photovoltaic performance in butterfly-shaped carbazole vs. borole derivatives: An implicit and explicit solvents-driven approach.

Journal: Journal of molecular graphics & modelling

Published: February 02, 2025

Mapping the Chemodiversity, Antioxidant and Enzyme Inhibitory Potential and In Silico Studies of Heliotropium europaeum.

Mapping the Chemodiversity, Antioxidant and Enzyme Inhibitory Potential and In Silico Studies of Heliotropium europaeum.

Journal: Food science & nutrition

Published: January 12, 2025

In-silico discovery of efficient second-generation drug derivatives with enhanced antihistamine potency and selectivity.

In-silico discovery of efficient second-generation drug derivatives with enhanced antihistamine potency and selectivity.

Journal: Computational biology and chemistry

Published: November 07, 2024

Convergent Synthesis, Kinetics, and Computational Studies of Indole(Phenyl)Triazole Bi-Heterocycles Modified With Propanamides as Elastase Inhibitors.

Convergent Synthesis, Kinetics, and Computational Studies of Indole(Phenyl)Triazole Bi-Heterocycles Modified With Propanamides as Elastase Inhibitors.

Journal: Chemistry & biodiversity

Published: July 25, 2024

Investigation of dual inhibition of antibacterial and antiarthritic drug candidates using combined approach including molecular dynamics, docking and quantum chemical methods.

Investigation of dual inhibition of antibacterial and antiarthritic drug candidates using combined approach including molecular dynamics, docking and quantum chemical methods.

Journal: Computational biology and chemistry

Published: July 15, 2024

Quantum chemical framework for tailoring N/B doped phenalene derivatives to achieve high performance nonlinear optical materials.

Quantum chemical framework for tailoring N/B doped phenalene derivatives to achieve high performance nonlinear optical materials.

Journal: Journal of molecular graphics & modelling

Published: November 10, 2023

Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potency.

Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potency.

Journal: Computational biology and chemistry

Published: August 24, 2023

Showing 1-12 of 78

Last Updated: 09/26/2026