Influence of benzothiophene acceptor moieties on the non-linear optical properties of pyreno-based chromophores: first-principles DFT framework
Shafiq, Iqra, Haq, Saadia, Javed, Tayyaba, Bullo, Saifullah, Ahmed, Sarfraz, Alhokbany, Norah, Ahamad, Tansir
Published in RSC advances (15.05.2024)
Published in RSC advances (15.05.2024)
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Journal Article
Effect of different end-capped donor moieties on non-fullerenes based non-covalently fused-ring derivatives for achieving high-performance NLO properties
Khalid, Muhammad, Shafiq, Iqra, Umm-e-Hani, Mahmood, Khalid, Hussain, Riaz, ur Rehman, Muhammad Fayyaz, Assiri, Mohammed A., Imran, Muhammad, Akram, Muhammad Safwan
Published in Scientific reports (25.01.2023)
Published in Scientific reports (25.01.2023)
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Journal Article
Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach
Khalid, Muhammad, Arshad, Muhammad Nadeem, Murtaza, Shahzad, Shafiq, Iqra, Haroon, Muhammad, Asiri, Abdullah M, Figueirêdo de AlcântaraMorais, Sara, Braga, Ataualpa A C
Published in RSC advances (28.04.2022)
Published in RSC advances (28.04.2022)
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Journal Article
Antibacterial metal complexes of o‐sulfamoylbenzoic acid: Synthesis, characterization, and DFT study
Siddiqui, Waseeq Ahmad, Khalid, Muhammad, Ashraf, Adnan, Shafiq, Iqra, Parvez, Masood, Imran, Muhammad, Irfan, Ahmad, Hanif, Muhammad, Khan, Muhammad Usman, Sher, Falak, Ali, Akbar
Published in Applied organometallic chemistry (01.01.2022)
Published in Applied organometallic chemistry (01.01.2022)
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Journal Article
Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach
Shafiq, Iqra, Khalid, Muhammad, Jawaria, Rifat, Shafiq, Zahid, Murtaza, Shahzad, Braga, Ataualpa A C
Published in RSC advances (17.10.2024)
Published in RSC advances (17.10.2024)
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Journal Article
First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores
Khalid, Muhammad, Ahmed, Rameez, shafiq, Iqra, Arshad, Muhammad, Asghar, Muhammad Adnan, Munawar, Khurram Shahzad, Imran, Muhammad, Braga, Ataualpa A. C.
Published in Scientific reports (23.11.2022)
Published in Scientific reports (23.11.2022)
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Journal Article
S1564 Comparative Efficacy and Safety of Endoscopic Submucosal Dissection versus Endoscopic Mucosal Resection for Gastrointestinal Lesions: A Meta-Analysis and Systematic Review
Shafique, Nouman, Khan, Ali Raza, Muhibullah, Fnu, Zafar, Shahzad, Qadeer, Abdul, Shafique, Adeena, Shafiq, Iqra, Mohan, Babu
Published in The American journal of gastroenterology (01.10.2024)
Published in The American journal of gastroenterology (01.10.2024)
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Journal Article
NLO potential exploration for D–π–A heterocyclic organic compounds by incorporation of various π-linkers and acceptor units
Khalid, Muhammad, Khan, Muhammad Usman, Shafiq, Iqra, Hussain, Riaz, Mahmood, Khalid, Hussain, Ajaz, Jawaria, Rifat, Hussain, Amjad, Imran, Muhammad, Assiri, Mohammed A., Ali, Akbar, ur Rehman, Muhammad Fayyaz, Sun, Keyu, Li, Yuzhen
Published in Arabian journal of chemistry (01.08.2021)
Published in Arabian journal of chemistry (01.08.2021)
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Journal Article
Transmittal Effect Evaluation of Heterocyclic Rings on Nonlinear Optical Ambit of Benzotrithiophene-Based Push-Pull Driving Materials: a Theoretical Approach
Haq, Saadia, Shoukat, Uzma, Shafiq, Iqra, Asghar, Muhammad Adnan, Arshad, Muhammad, Ahamad, Tansir, Baby, Rabia
Published in Polycyclic aromatic compounds (13.09.2024)
Published in Polycyclic aromatic compounds (13.09.2024)
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Journal Article
Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach
Khalid, Muhammad, Shafiq, Iqra, Asghar, Muhammad Adnan, Braga, Ataualpa Albert Carmo, Alshehri, Saad M., Haroon, Muhammad, Sanyang, Muhammed Lamin
Published in Scientific reports (16.11.2023)
Published in Scientific reports (16.11.2023)
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Journal Article
Exploration of the synergistic effect of chrysene-based core and benzothiophene acceptors on photovoltaic properties of organic solar cells
Shafiq, Iqra, Kousar, Shehla, Rasool, Faiz, Ahamad, Tansir, Munawar, Khurram Shahzad, Bullo, Saifullah, Ojha, Suvash Chandra
Published in Scientific reports (02.07.2024)
Published in Scientific reports (02.07.2024)
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Journal Article
Efficient Synthesis of Imine-Carboxylic Acid Functionalized Compounds: Single Crystal, Hirshfeld Surface and Quantum Chemical Exploration
Tahir, Muhammad Nawaz, Ali, Akbar, Khalid, Muhammad, Ashfaq, Muhammad, Naveed, Mubashir, Murtaza, Shahzad, Shafiq, Iqra, Asghar, Muhammad Adnan, Orfali, Raha, Perveen, Shagufta
Published in Molecules (Basel, Switzerland) (27.03.2023)
Published in Molecules (Basel, Switzerland) (27.03.2023)
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Journal Article
Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation
Khalid, Muhammad, Shafiq, Iqra, Zhu, Meiying, Khan, Muhammad Usman, Shafiq, Zahid, Iqbal, Javed, Alam, Mohammed Mujahid, Braga, Ataualpa Albert Carmo, Imran, Muhammad
Published in Journal of Saudi Chemical Society (01.08.2021)
Published in Journal of Saudi Chemical Society (01.08.2021)
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Journal Article
Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study
Shafiq, Iqra, Khalid, Muhammad, Maria, Gul, Raza, Nadeem, Braga, Ataualpa A. C, Bullo, Saifullah, Khairy, Mohamed
Published in RSC advances (16.04.2024)
Published in RSC advances (16.04.2024)
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Journal Article
Synthesis, characterization and NLO properties of 1,4-phenylenediamine-based Schiff bases: a combined theoretical and experimental approach
Tahir, Muhammad, Aftab, Hina, Shafiq, Iqra, Khalid, Muhammad, Haq, Saadia, El-kott, Attalla F, Zein, Mohamed Abdellatif, Hani, Umme, Shafiq, Zahid
Published in RSC advances (23.01.2024)
Published in RSC advances (23.01.2024)
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Journal Article
S1563 Efficacy of Antibiotic Prophylaxis in Preventing Infections Following Endoscopic Retrograde Cholangiopancreatography: A Systematic Review and Meta-Analysis
Shafique, Nouman, Muhibullah, Fnu, Qadeer, Abdul, Khan, Nihal I., Rahman, Syed Hamaad, Zaeem, Muhammad, Aleem, Sana, Abbasi, Abdullah, Shafique, Adeena, Shafiq, Iqra, Naveed, Muhammad, Ahmed, Faizan, Khan, Hafiz, Hurairah, Abu
Published in The American journal of gastroenterology (01.10.2024)
Published in The American journal of gastroenterology (01.10.2024)
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Journal Article
S283 The Association Between Pyogenic Liver Abscess and Increased Incidence of Colorectal Cancer Across Age Groups and in Patients With Diabetes Mellitus: A Meta-Analysis and Systematic Review
Shafique, Nouman, Muhibullah, Fnu, Qadeer, Abdul, Khan, Ali Raza, Wasay, Abdul, Shafique, Adeena, Zafar, Shahzad, Shafiq, Iqra, Asif, Sana, Khan, Salman, Ehsan, Amna, Nawaz, Gul, Khan, Ahmad, Hurairah, Abu
Published in The American journal of gastroenterology (01.10.2024)
Published in The American journal of gastroenterology (01.10.2024)
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Journal Article
S1841 Mycophenolate Mofetil Versus Azathiopurine in Autoimmune Hepatitis: A Systematic Review and Meta-Analysis
Shafique, Nouman, Muhibullah, Fnu, Qadeer, Abdul, Khan, Nihal I., Rahman, Syed Hamaad, Shafique, Adeena, Hasan, Ammar, Shafiq, Iqra, Awan, Muhammad Raheel, Jajja, Salman Ayub, Haider, Ali, Islam, Zaigham ul, Maryam, Saleha, Hurairah, Abu
Published in The American journal of gastroenterology (01.10.2024)
Published in The American journal of gastroenterology (01.10.2024)
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Journal Article
S1842 Outcomes of Liver Transplant in Patients With Budd-Chiari Syndrome: A Systematic Review and Meta-Analysis
Shafique, Nouman, Muhibullah, Fnu, Khan, Nihal I., Rahman, Syed Hamaad, Shafique, Adeena, Haider, Ali, Shafiq, Iqra, Islam, Zaigham ul, Rehman, Atta Ur, Nawaz, Hassan, Latif, Haris, Poombal, Fnu, Hurairah, Abu
Published in The American journal of gastroenterology (01.10.2024)
Published in The American journal of gastroenterology (01.10.2024)
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Journal Article
Multicomponent synthesis of pyrido[2,3-]pyrazine derivatives: electrochemical DNA sensing, nonlinear optical properties and biological activity
Rashid, Muhammad, Khalid, Muhammad, Ashraf, Abida, Saleem, Tahira, Shafiq, Iqra, Shakil, Muhammad Azeem, Zainab, Briha, El-kott, Attalla F, Yaqub, Muhammad, Shafiq, Zahid
Published in RSC advances (01.11.2023)
Published in RSC advances (01.11.2023)
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Journal Article