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RESEARCH PAPER · Scientific Reports · 2024

A first principles based prediction of electronic and nonlinear optical properties towards cyclopenta thiophene chromophores with benzothiophene acceptor moieties

Saadia Haq, Muhammad Khalid, Ajaz Hussain, Muhammad Haroon, Saad M. Alshehri

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9 direct citing papers in this saved network. Explore the next layer with second-order citations.

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A first principles based prediction of electronic and nonlinear optical properties towards cyclopenta thiophene chromophores with benzothiophene acceptor moietiesOriginalSynthesis, characterization, solvatochromic, and electrochemical investigation of novel 4-methyl coumarin fused azo dyes as an NLO material and their biological studies6Quantum mechanical approaches and molecular docking studies of platinum based anticancer drugs Satraplatin and picoplatin structures3Computational modeling of non-fullerene donor based on indacenodithiophene with amplified optoelectronic attributes for organic solar cells1A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals1DFT and TD–DFT study of push–pull molecules with extended conjugated bridges: theoretical insight into organometallic rings for the enhanced Nonlinear Optical (NLO) properties0Structural properties theoretical investigation of quinoxalin -2(1H) one and some its pharmaceutical derivatives0Unveiling the impact of end-capped acceptor moieties on second and third nonlinear optical response of naphtho[1,2-b:5,6-b′]dithiophene-based derivatives0Synthesis and investigation of the anthelmintic activity of substituted sodium 5-aryl-1-cyano-3-{[3-(ethoxycarbonyl)thiophen-2-yl]amino}-5-oxopenta-1,3-dien-2-olates0Benzothiadiazole as a strategic central core or a better terminal acceptor for enhanced nonlinear optical and photovoltaic properties0

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  1. Synthesis, characterization, solvatochromic, and electrochemical investigation of novel 4-methyl coumarin fused azo dyes as an NLO material and their biological studies

    Structural Chemistry · 2024-07-10

    Y. Surendranaik, Talavara Venkatesh, Eresha naik

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  2. Quantum mechanical approaches and molecular docking studies of platinum based anticancer drugs Satraplatin and picoplatin structures

    Biochemical and Biophysical Research Communications · 2024-11-09

    Madhavi Sahadevan, Karunagaran Subramanian, Mullainathan Sundaram

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  3. Computational modeling of non-fullerene donor based on indacenodithiophene with amplified optoelectronic attributes for organic solar cells

    Journal of Physics and Chemistry of Solids · 2025-01-14

    Adeel Mubarık, Faiza Shafiq, Muhammad Bılal, Nasır Rasool, Ali Raza Ayub, Mostafa A.I. Abdelmotaleb

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  4. A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals

    Journal of Computational Chemistry · 2025-01-23

    Joshua Pandian, Khanh Vu, Jules Tshishimbi Muya, Anna Parker, Christine Mae F. Ancajas, Diomedes Saldana‐Greco, Tabitha Yewer, Carol A. Parish

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  5. DFT and TD–DFT study of push–pull molecules with extended conjugated bridges: theoretical insight into organometallic rings for the enhanced Nonlinear Optical (NLO) properties

    Journal of Molecular Modeling · 2025-08-09

    Hicham Mahdjoub–Araibi, Mourad Zouaoui–Rabah, Madani Hedidi, Abdelkader M Elhorri, Assia Laib, Mohammed Zenati

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  6. Structural properties theoretical investigation of quinoxalin -2(1H) one and some its pharmaceutical derivatives

    Research Square · 2025-09-10

    Mahdi ALAMI, A. El Assyry, I. Rafiq, Abdelilah Akouibaa

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  7. Unveiling the impact of end-capped acceptor moieties on second and third nonlinear optical response of naphtho[1,2-b:5,6-b′]dithiophene-based derivatives

    Structural Chemistry · 2026-01-03

    Saba Abid, Aiman Jabbar, Zubaria Saeed, Sadia Jamal, Muhammad Haroon, Saifullah Bullo, Tansir Ahamad

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  8. Synthesis and investigation of the anthelmintic activity of substituted sodium 5-aryl-1-cyano-3-{[3-(ethoxycarbonyl)thiophen-2-yl]amino}-5-oxopenta-1,3-dien-2-olates

    Russian Chemical Bulletin · 2026-02-01

    D. A. Kozlov, Dmitriy V. Lipin, Irina A. Gorbunova, Алла Валентиновна Старкова, O. Yu. Ustinova, P. S. Silaychev, Daria A. Shipilovskikh, Sergei Alexandrovich Shipilovskikh

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

    Journal of Molecular Graphics and Modelling · 2026-07-20

    Shabbir Muhammad, Adan Ahmad, Kainat Maryam, Shafiq ur-Rehman, Saleh S. Alarfaji, Abdullah Godran Al-Sehemi, Aijaz Rasool Chaudhry

    Read original paper ↗ ·
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