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Shamsa Bibi · SciRah

Researcher profile · Semantic Scholar

Shamsa Bibi

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Shamsa Bibi — researcher profile on SciRah

h-index: 22
Works: 106
Citations: 1,541

Most-cited papers

Investigation of the adsorption properties of gemcitabine anticancer drug with metal-doped boron nitride fullerenes as a drug-delivery carrier: a DFT study
Shamsa Bibi, Shafiq ur‐Rehman, Laryeb Khalid, I. Bhatti +4 more
2022RSC Advances57 citations Open access
Semantic Scholar
Experimental and theoretical studies of Rhodamine B direct dye sorption onto clay-cellulose composite
A. Kausar, Ramsha Shahzad, Sadia Asim, Shamsa Bibi +4 more
202156 citations
Semantic Scholar
Exploring the impact of central core modifications among several push-pull configurations to enhance nonlinear optical response.
A. Saeed, S. Muhammad, S. ur Réhman, Shamsa Bibi +2 more
2020Journal of Molecular Graphics and Modelling54 citations
Semantic Scholar
Effect of different topological structures (D-π-D and D-π-A-π-D) on the optoelectronic properties of benzo[2,1-B:3,4-B́]dithiophene based donor molecules toward organic solar cells
Shamsa Bibi, Shafiq-ur-Rehman, Jia Ran, Hong-Xing Zhang +1 more
2019Solar Energy50 citations
Semantic Scholar
Chemically Modified Quinoidal Oligothiophenes for Enhanced Linear and Third-Order Nonlinear Optical Properties
Amna Bibi, S. Muhammad, Shafiq UrRehman, Shamsa Bibi +4 more
2021ACS Omega45 citations Open access
Semantic Scholar
Exploration of nonlinear optical properties of 4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylpropanamide based derivatives: experimental and DFT approach
Muhammad Irfan, Hammad Ali Khan, Shamsa Bibi, Gang Wu +5 more
2024Scientific Reports36 citations Open access
Semantic Scholar
Insighting the functionally modified C60 fullerenes as an efficient nonlinear optical materials: A quantum chemical study
S. Muhammad, Shafiq UrRehman, Fatima Sarwar, Shamsa Bibi +5 more
2022Materials Science in Semiconductor Processing34 citations
Semantic Scholar
DFT analysis of different substitutions on optoelectronic properties of carbazole-based small acceptor materials for Organic Photovoltaics
Shafiq UrRehman, Makhvela Anwer, Shamsa Bibi, S. Jamil +5 more
2022Materials Science in Semiconductor Processing33 citations
Semantic Scholar
Efficient Adsorption of Lead Ions from Synthetic Wastewater Using Agrowaste-Based Mixed Biomass (Potato Peels and Banana Peels)
Aamna Ashfaq, R. Nadeem, Shamsa Bibi, U. Rashid +6 more
2021Water32 citations Open access
Semantic Scholar
Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies
M. Zia, S. Muhammad, Shafiq-urRehman, Shamsa Bibi +4 more
2021Bioorganic & Medicinal Chemistry Letters31 citations Open access
Semantic Scholar
Metal doped fullerene complexes as promising drug delivery materials against COVID-19
Shamsa Bibi, Shafiq UrRehman, Laryeb Khalid, M. Yaseen +2 more
2021Chemické zvesti31 citations Open access
Semantic Scholar
Comparative catalytic reduction and degradation with biodegradable sodium alginate based nanocomposite: Zinc oxide/N-doped carbon nitride/sodium alginate.
Muhammad Jamshed Latif, Sarmed Ali, S. Jamil, Shamsa Bibi +5 more
2023International Journal of Biological Macromolecules28 citations
Semantic Scholar
Quantum chemical framework for designing high-performance ladder-shape NLO molecules and study of implicit vs explicit solvent effects on their NLO properties
Shamsa Bibi, Iqra Kaifi, Shabbir Muhammad, Shafiq UrRehman +3 more
2024Journal of Molecular Liquids27 citations
Semantic Scholar
Synthesis and Characterization of Mg–Zn Bimetallic Nanoparticles: Selective Hydrogenation of p-Nitrophenol, Degradation of Reactive Carbon Black 5 and Fuel Additive
Shanza Rauf Khan, Maria Batool, S. Jamil, Shamsa Bibi +2 more
2019Journal of Inorganic and Organometallic Polymers and Materials26 citations
Semantic Scholar
Mesoporous activated TiO2/based biochar synthesized from fish scales as a proficient adsorbent for deracination of heavy metals from industrial efflux
H. Mannan, Raziya Nadeem, Shamsa Bibi, T. Javed +5 more
2022Journal of Dispersion Science and Technology25 citations
Semantic Scholar
DFT and TD-DFT studies of phenothiazine based derivatives as fluorescent materials for semiconductor applications
Shamsa Bibi, Faiza Farooq, Shafiq-ur-Rehman, Fu-Quan Bai +1 more
202125 citations
Semantic Scholar
Chitosan-cellulose composite for the adsorptive removal of anionic dyes: Experimental and theoretically approach
A. Kausar, Sana Ijaz, Maria Rafaqat, A. Dahshan +6 more
2023Journal of Molecular Liquids24 citations
Semantic Scholar
Review of recent advancements in fluorescent chemosensor for ion detection via coumarin derivatives
Asim Mansha, S. Asad, Sadia Asim, Shamsa Bibi +2 more
2022Chemické zvesti24 citations
Semantic Scholar
Graphene oxide and Fe3O4 composite synthesis, characterization and adsorption efficiency evaluation for NO3¯ and PO43¯ ions in aqueous medium
S. Perveen, Raziya Nadeem, M. Iqbal, Shamsa Bibi +6 more
202123 citations
Semantic Scholar
CuO/PANI nanocomposite: an efficient catalyst for degradation and reduction of pollutants
Ammara, Sadia Noreen, Sarmed Ali, S. Jamil +3 more
2024Polymer Bulletin22 citations Open access
Semantic Scholar
Preparation of Manganese-doped Tin oxide nanoparticles for Catalytic Reduction of Organic Dyes
Saman Naz, Guria Bibi, S. Jamil, Shafiq UrRehman +5 more
2022Chemical Physics Letters22 citations
Semantic Scholar
Fuzzy logic–based intelligent control for hydrostatic journal bearing
W. ur Rehman, Yuan-Xin Luo, Yongqin Wang, Gui-Yun Jiang +3 more
2019Measurement and control (London. 1968)21 citations Open access
Semantic Scholar
Evaluation of a NIAB Gold castor variety for biodiesel production and bio-pesticide
M. Naseem, Sana Sadaf, Shamsa Bibi, Habib-ur-Rehman +3 more
2019Industrial crops and products (Print)20 citations
Semantic Scholar
Optimizing Core Modifications for High‐Performance D‐A‐D Molecular Systems: a Multi‐Faceted Study on NLO Properties, Solvent Effects, Charge Transfer, and Photovoltaic Efficiency
Iqra Kaifi, Shabbir Muhammad, Shamsa Bibi, Shafiq UrRehman +4 more
2025Advanced Theory and Simulations19 citations
Semantic Scholar
Designing the electron push-pull chromophores through the joining of triphenylamine and triphenylborane for efficient nonlinear optical and photovoltaic properties
Shabbir Muhammad, Alishba Khalid, Shafiq UrRehman, Shamsa Bibi +4 more
2024Optical materials (Amsterdam)19 citations
Semantic Scholar
Exploring the impact of heterocyclic bridges for tuning the amplitudes of Nonlinear optical properties under Gas, IEFPCM and COSMO solvent models
Shabbir Muhammad, Adan Ahmad, Shamsa Bibi, Shafiq UrRehman +3 more
2024Journal of Molecular Liquids19 citations
Semantic Scholar
Understanding the role of symmetric/asymmetric curcuminoids in designing efficient optical, nonlinear optical and photovoltaic materials
Shabbir Muhammad, Sadia Riaz, Shafiq UrRehman, Shamsa Bibi +3 more
2024Optical and quantum electronics19 citations
Semantic Scholar
Insighting the systematic impact of shape, size and substitution of heteroatoms in quinoidal oligomers to tune their optoelectronic properties
Fatima Sarwar, S. Muhammad, Shafiq-urRehman, Shamsa Bibi +3 more
2022Optical and quantum electronics19 citations
Semantic Scholar
Designation and Match of Non‐Fullerene Acceptors with X‐Shaped Donors toward Organic Solar Cells
Ushna Saeed, Shamsa Bibi, Shafiq UrRehman, Shanza Rauf Khan +4 more
2019ChemistrySelect19 citations
Semantic Scholar
A DFT study on removal of Mn and V from wastewater using chitosan/graphene oxide composite as adsorbent
Shafiq UrRehman, A. Sajjad, Shamsa Bibi, Hira Anwar +6 more
2023Chemistry of Inorganic Materials17 citations Open access
Semantic Scholar
Designing and Comparative Analysis of 3D Subphthalocyanines Based Non-Fullerene Acceptor Molecules as an Efficient Material for Organic Solar Cells
Umer Yaqoob, Sidra Rafiq, Shafiq ur Rehman, Shamsa Bibi +1 more
202117 citations
Semantic Scholar
Theoretical Investigation of Perylene Diimide derivatives as Acceptors to Match with Benzodithiophene based Donors for Organic Photovoltaic Devices
M. Shoaib, Shafiq ur‐Rehman, Shamsa Bibi, Inam Ullah +5 more
201917 citations
Semantic Scholar
The exploring AI-generated pyrazalone derivatives as antifungal agents: Bringing together molecular docking and quantum chemical approaches
Muath Suliman, Aqsa Laraib, Shamsa Bibi, Shimmaa Mansour Moustafa Mohamed +2 more
2025Comput. Biol. Chem.16 citations
Semantic Scholar
Silver/Titanium Nanoparticles Encapsulated Microgel For Catalytic Reduction
A. Raza, Shanza Rauf Khan, Sarmed Ali, S. Jamil +1 more
2023Inorganic Chemistry Communications16 citations
Semantic Scholar
Quantum chemical study of new oxadiazoles as efficient optical and nonlinear optical and photovoltaic materials under gas, PCM and COSMO solvent effects
Shamsa Bibi, Jannat Bibi, Shabbir Muhammad, Shafiq UrRehman +3 more
2025Optics & Laser Technology15 citations
Semantic Scholar
Exploring the quinoidal oligothiophenes to their robust limit for efficient linear and nonlinear optical response properties
S. Muhammad, Amna Bibi, Shafiq-urRehman, Shamsa Bibi +3 more
2022Chemické zvesti15 citations
Semantic Scholar
Structural and computational analysis, spectroscopic and electrochemical elucidation of a Schiff base
K. S. Munawar, Saqib Ali, A. Rauf, Shamsa Bibi +4 more
2022Journal of the Iranian Chemical Society15 citations
Semantic Scholar
Dipoles in 4,12,4-graphyne
Dong-chun Yang, Y. Tan, Roberts Eglitis, Shamsa Bibi +2 more
202115 citations
Semantic Scholar
The effect of different aromatic conjugated bridges on optoelectronic properties of diketopyrrolopyrrole-based donor materials for organic photovoltaics
Shafiq UrRehman, A. Alam, Shamsa Bibi, Sana Sadaf +5 more
2020Journal of Molecular Modeling15 citations
Semantic Scholar
Comparison of catalytic and fuel additive properties of bimetallic nanoparticles and its composite: FeMnO3 and PANI-FeMnO3
Q. Ul-ain, Sarmed Ali, S. Jamil, Shamsa Bibi +7 more
2022Materials Science in Semiconductor Processing14 citations
Semantic Scholar
Exploring Acceptor Modification in Helicene‐Phenylamine‐Based Small Molecules for Organic and Perovskite Solar Cells
Rida Fatima, Javed Iqbal, Shamsa Bibi, Muhammad Yaseen
2023Energy Technology13 citations
Semantic Scholar
Comparative catalytic analysis of non-biodegradable barium oxide nanoparticles and biodegradable barium oxide/sodium alginate nanocomposite against organic dyes.
Muhammad Jamshed Latif, Sanam Shehzadi, Sarmed Ali, S. Jamil +3 more
2025International Journal of Biological Macromolecules12 citations
Semantic Scholar
Aloin as a Potential Anti‐Breast Cancer Agent: Insights From Molecular Docking and Density Functional Theory (DFT) Analysis
Aqsa Laraib, Shafiq UrRehman, Saba Jamil, Muhammad Anjum Zia +6 more
2025ChemistrySelect12 citations
Semantic Scholar
Excited State Complexes of Coumarin Derivatives
Aqsa Mukhtar, Asim Mansha, Sadia Asim, A. Shahzad +1 more
2021Journal of Fluorescence12 citations
Semantic Scholar
A Versatile Material: Perovskite Bismuth Ferrite Microparticles as a Potential Catalyst for Enhancing Fuel Efficiency and Degradation of Various Organic Dyes
Shanza Rauf Khan, S. Jamil, Shamsa Bibi, Sarmed Ali +2 more
2020Journal of Inorganic and Organometallic Polymers and Materials12 citations
Semantic Scholar
Piperine analogues as dual inhibitors for antibacterial and antiarthritic properties through impact of ligands optimization, docking and water solvation
Shabbir Muhammad, Ariha Zaid, Shamsa Bibi, Shafiq UrRehman +4 more
2024Journal of Molecular Liquids11 citations
Semantic Scholar
Comparison effects of gelation on sodium alginate–iron oxide nanocomposites for efficient catalytic degradation of organic dyes
S. Khan, Sajid Ali, W. Burhan, Sarmed Ali +5 more
2024Applied Nanoscience11 citations
Semantic Scholar
Improving Small-Molecules Based OSCs Performance Through Molecular Optimization: A Computational DFT Analysis
Sania Ismaeel, Shamsa Bibi, Saba Jamil, M. Yaseen
2025Journal of Fluorescence10 citations
Semantic Scholar
In-silico discovery of efficient second-generation drug derivatives with enhanced antihistamine potency and selectivity
M. Alshahrani, Ariha Zaid, Muath Suliman, Shamsa Bibi +2 more
2025Comput. Biol. Chem.10 citations
Semantic Scholar
Quantum chemical framework for tailoring N/B doped phenalene derivatives to achieve high performance nonlinear optical materials.
Shafiq UrRehman, Saliha Fatima, Shabbir Muhammad, Shamsa Bibi +4 more
2024Journal of Molecular Graphics and Modelling10 citations
Semantic Scholar

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A. G. Al-Sehemi×10
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Shabbir Muhammad×6

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Saleh S. Alarfaji×5

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Shanza Rauf Khan×5

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