Iqra Shafiq

Bahawal Victoria Hospital — Pakistan

Materials Science · Physical Sciences

22h-index1.3kcitations83works3.72yr avg
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Research Topics

Nonlinear Optical Materials Research(51), Organic Electronics and Photovoltaics(35), Conducting polymers and applications(19), Nonlinear Optical Materials Studies(14), Chemical synthesis and pharmacological studies(12)

Publications83 total

Quantum chemical insights into the role of azocyclic donors on second and third-order NLO responses of organic frameworks
Structural Chemistry·2025
Author response for "Optimizing Hole Transport Efficiency in Perovskite Solar Cells by Structural Modeling of 1,4-Dihydropyrrolo[3,2-b]pyrroles With Various Donors: A DFT Approach"
2025
Molecular engineering with benzothiophene based bracing units to improve the photovoltaic properties of the naphthalene core based chromophores
Scientific Reports·2025· 2 citedOpen Access
Tuning peripheral acceptors in pyran core functional materials to boost photovoltaic efficiency
Scientific Reports·2025· 2 citedOpen Access
Unraveling the NLO potential of isoquinoline functionalized chromophores via molecular modeling using DFT/TD-DFT approaches
Scientific Reports·2025· 5 citedOpen Access
E-82 | Optimal Timing Of Valve Replacement In Asymptomatic Severe Aortic Stenosis: Insights From A Systematic Review And Meta-Analysis
Journal of the Society for Cardiovascular Angiography & Interventions·2025Open Access
F-123 | Intravenous Versus Intraosseous Epinephrine in Out-Of-Hospital Cardiac Arrest : An Updated Meta-Analysis And Systematic Review
Journal of the Society for Cardiovascular Angiography & Interventions·2025Open Access
Exploring the influence of end capped acceptor modification on photovoltaic properties of 1,4-dihydropyridine based functionalized materials: DFT/TD-DFT study
Computational and Theoretical Chemistry·2025· 2 cited
Investigation of the quinoidal resonance effect towards chromophores in chloroform medium for organic solar cell applications: A DFT/TD-DFT study
Computational and Theoretical Chemistry·2025· 1 cited
Exploration of promising key electronic and nonlinear optical properties of bifluorenylidene based chromophores: a TD-DFT/DFT approach
Scientific Reports·2025· 6 citedOpen Access
Synthesis, Characterization, and DFT Insights into Non‐linear Optical Properties of Ethoxysalicylaldehyde Thiosemicarbazone Derivatives
ChemistrySelect·2025· 2 citedOpen Access
Influence of benzothiophene based acceptors modulation on photovoltaic properties of Trimethyl-2-selena-5-aza-pentalene-4,6-dione based chromophores through quantum chemical investigations
Journal of Industrial and Engineering Chemistry·2025Open Access
Author response for "Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach"
2025
Author response for "Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach"
2025
Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach
RSC Advances·2025· 3 citedOpen Access
Optimizing hole transport efficiency in perovskite solar cells by structural modeling of 1,4-dihydropyrrolo[3,2- <i>b</i> ]pyrroles with various donors: a DFT approach
RSC Advances·2025· 1 citedOpen Access
Exploration of the effect of bracing units on photovoltaic properties of naphthalene diamine based chromophores: Synthesis, spectroscopic and DFT investigations
Journal of Molecular Structure·2024· 1 cited
Author response for "Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach"
2024
Exploring the influence of end-capped moieties on the photovoltaic properties of thiazolo [5,4-d] thiazole based compounds: DFT/TD-DFT approaches
Materials Science in Semiconductor Processing·2024· 5 cited
Facile synthesis, spectroscopic, electronic and non-linear optical properties of 1,2–4 triazole-based derivatives: An experimental and DFT approach
Journal of Molecular Structure·2024· 2 citedOpen Access
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Frequent Co-authors

Muhammad Khalid(35), Ataualpa Albert Carmo Braga(25), Muhammad Adnan Asghar(17), Saad M. Alshehri(11), Saifullah Bullo(10), Muhammad Imran(9), Sarfraz Ahmed(9), Zahid Shafiq(8), Suvash Chandra Ojha(8), Rifat Jawaria(7), Rabia Baby(7), Tansir Ahamad(6), Norah Alhokbany(6), Muhammad Usman Khan(5), Khalid Mahmood(5), Muhammad Haroon(5), Akbar Ali(4), Muhammad Fayyaz ur Rehman(4), Muhammad Safwan Akram(4), Shahzad Murtaza(4)