Structural tailoring via end-capped acceptors of thiophene-based C-shaped non-fullerene compounds with A-π-A backbone for the exploration of photovoltaic response by Iqra Shafiq, Uzma Shoukat, Muhammad Adnan Asghar, Muhammad Aslam, Tansir Ahamad, Sarfraz Ahmed, Saifullah Bullo, Suvash Chandra Ojha

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Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: A DFT approach by Muhammad Khalid, Sidra Yasmeen, Sarfraz Ahmed, Muhammad Adnan Asghar, Muhammad Imran, Ataualpa A.C. Braga, Suvash Chandra Ojha

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Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study by Iqra Shafiq, Muhammad Khalid, Muhammad Adnan Asghar, Rabia Baby, Ataualpa A. C. Braga, Saad M. Alshehri, Sarfraz Ahmed

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Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: A theoretical approach by Muhammad Khalid, Saira Hanif, Sarfraz Ahmed, Muhammad Adnan Asghar, Muhammad Imran, Ataualpa A.C. Braga, Suvash Chandra Ojha

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Photovoltaic response promoted via intramolecular charge transfer in pyrazoline-based small molecular acceptors: Efficient organic solar cells by Muhammad Khalid, Ayesha Mustafa, Sarfraz Ahmed, Muhammad Adnan Asghar, Tansir Ahamad, Ataualpa A.C. Braga, Suvash Chandra Ojha

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Synthesis, Characterizations, Hirshfeld Surface Analysis, DFT, and NLO Study of a Schiff Base Derived from Trifluoromethyl Amine by Muhammad Nawaz Tahir, Muhammad Ashfaq, Khurram Shahzad Munawar, Ahsan Ullah Khan, Muhammad Adnan Asghar, Tansir Ahamad, Suvash Chandra Ojha

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Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach by Muhammad Khalid, Iqra Shafiq, Muhammad Adnan Asghar, Ataualpa Albert Carmo Braga, Saad M. Alshehri, Muhammad Haroon, Muhammed Lamin Sanyang

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Designing of banana shaped chromophores via molecular engineering of terminal groups to probe photovoltaic behavior of organic solar cell materials by Saeed Ahmed, Iram Irshad, Saima Nazir, Salma Naz, Muhammad Adnan Asghar, Saad M. Alshehri, Saifullah Bullo, Muhammed Lamin Sanyang

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First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores by Muhammad Khalid, Rameez Ahmed, Iqra shafiq, Muhammad Arshad, Muhammad Adnan Asghar, Khurram Shahzad Munawar, Muhammad Imran, Ataualpa A. C. Braga

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Efficient Synthesis of Imine-Carboxylic Acid Functionalized Compounds: Single Crystal, Hirshfeld Surface and Quantum Chemical Exploration by Muhammad Nawaz Tahir, Akbar Ali, Muhammad Khalid, Muhammad Ashfaq, Mubashir Naveed, Shahzad Murtaza, Iqra Shafiq, Muhammad Adnan Asghar, Raha Orfali, Shagufta Perveen

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Designing strategies towards non-fullerene DTCR1 based compounds for the exploration of non-linear optical behavior by Muhammad Khalid, Zubaria Saeed, Iqra Shafiq, Muhammad Adnan Asghar, Ataualpa Albert Carmo Braga, Saad M. Alshehri, Muhammad Safwan Akram, Suvash Chandra Ojha

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A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores by Iqra Shafiq, Ume Habiba Ishaque, Muhammad Khalid, Ataualpa Albert Carmo Braga, Muhammad Adnan Asghar, Saad M. Alshehri, Sarfraz Ahmed, Suvash Chandra Ojha

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Electronic and optical behaviour of lanthanum doped CaTiO3 perovskite by Muhammad Rizwan, Zahid Usman, Muhammad Shakil, S S A Gillani, S Azeem, H B Jin, C B Cao, Rana Farhat Mehmood, Ghulam Nabi, Muhammad Adnan Asghar

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Theoretical Perspective toward Designing of 5‑Methylbenzo [1,2‑b:3,4‑b′:6,5‑b″] trithiophene-Based Nonlinear Optical Compounds with Extended Acceptors by Iqra Shafiq, Ayesha Mustafa, Romaisa Zahid, Rabia Baby, Sarfraz Ahmed, Muhammad Adnan Asghar, Tansir Ahamad, Manawwer Alam, Ataualpa A. C. Braga, Suvash Chandra Ojha

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Exploration of photovoltaic behavior of benzodithiophene based non-fullerene chromophores: first theoretical framework for highly efficient photovoltaic parameters by Iqra Shafiq, Muhammad Khalid, Muhammad Adnan Asghar, Muhammad Adeel, Muhammad Fayyaz ur Rehman, Asad Syed, Ali H. Bahkali, Abdallah M. Elgorban, Muhammad Safwan Akram

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Theoretical design and prediction of novel fluorene-based non-fullerene acceptors for environmentally friendly organic solar cell by Muhammad Usman Khan, Riaz Hussain, Junaid Yaqoob, Muhammad Fayyaz ur Rehman, Muhammad Adnan Asghar, Sibel Demir Kanmazalp, Mohammed A. Assiri, Muhammad Imran, Changrui Lu, Muhammad Safwan Akram

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