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RESEARCH PAPER · Materials Today Chemistry · 2025

Unravelling the impact of octahedral distortion and non-covalent interactions on the hyperpolarizabilities of Co(II) and Ni(II) coordination complexes with uridine nucleotide

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Unravelling the impact of octahedral distortion and non-covalent interactions on the hyperpolarizabilities of Co(II) and Ni(II) coordination complexes with uridine nucleotideOriginalNonlinear optical functionalized Cu( ii ) coordination complexes with chiral ligands: design, structural elucidation, and theoretical investigation9A Novel Polyaramid Nanosheet for Sensing and Drug Delivery of Gemcitabine Anticancer Drug: A Computational Exploration6Next-generation Nanocarrier material prescreening: Unlocking silicon-doped graphdiyne through DFT insights4A hydrazone Schiff base as a Fe( iii ) sensor and precursor to a violet-emissive Mn( ii ) complex: synthesis, crystal structure, luminescence, supramolecular and DFT studies9Conformational isomers of a dinuclear Zn( ii ) complex with a flexible diacylhydrazone Schiff base: crystal structure, luminescence, and DFT studies0Organic sonosensitizers for cancer therapy: molecular engineering from band-gap control to clinical application01D Cobalt‐Cytidine Monophosphate Coordination Polymer Exhibiting Efficient Ultraviolet Second‐Harmonic Generation7Exploring the Effect of Electronic Symmetry on the Hyperpolarizabilities of Co(II) and Ni(II) Coordination Complexes with Cytidine Nucleotide6Computational study of Actinonin@Cucurbit[8]uril supramolecular complexes for colorectal cancer therapy0A novel pentanuclear cobalt (II)-thiocyanate coordination complex: From NLO responsiveness to in vitro anticancer and anti-alzheimer potential0Experimental and Computational Analysis of the Nonlinear Optical Responses of Styrylquinoline-Functionalized Polymers for Optoelectronic Applications0

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  1. Nonlinear optical functionalized Cu( ii ) coordination complexes with chiral ligands: design, structural elucidation, and theoretical investigation

    Dalton Transactions · 2025-01-01

    Nagesh Manurkar, Mubashar Ilyas, Faiza Arshad, Prasanna J. Patil, Qamar‐un‐Nisa Tariq, Shahzad Alam Khan, Maroof Ahmad Khan, Hui Li

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  2. A Novel Polyaramid Nanosheet for Sensing and Drug Delivery of Gemcitabine Anticancer Drug: A Computational Exploration

    BioNanoScience · 2025-07-19

    Rezvan Rahimi, Mohammad Solimannejad, Zeynab Ehsanfar

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  3. Next-generation Nanocarrier material prescreening: Unlocking silicon-doped graphdiyne through DFT insights

    Journal of Molecular Graphics and Modelling · 2025-10-25

    R Mugunthini, B. Anitha, J. Mary Sneha, R.M. Hariharan, Kombiah Iyakutti, D. John Thiruvadigal, K. Janani Sivasankar

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  4. A hydrazone Schiff base as a Fe( iii ) sensor and precursor to a violet-emissive Mn( ii ) complex: synthesis, crystal structure, luminescence, supramolecular and DFT studies

    New Journal of Chemistry · 2026-01-01

    Muhammad Lauqman, Nida Javaid, Mubashar Ilyas, Muhammad Nawaz Tahir, Muhammad Ashfaq, Junaid Ali, Madiha Saqlain, Hui Li

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  5. Conformational isomers of a dinuclear Zn( ii ) complex with a flexible diacylhydrazone Schiff base: crystal structure, luminescence, and DFT studies

    New Journal of Chemistry · 2026-01-01

    Muhammad Lauqman, Nida Javaid, Yaqoot Khan, Mubashar Ilyas, Penghao Bai, Hafiz Zeshan Aqil, Muhammad Ashfaq, Maroof Ahmad Khan, Hui Li

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  6. Organic sonosensitizers for cancer therapy: molecular engineering from band-gap control to clinical application

    Chemical Communications · 2026-01-01

    Talha Baig, Mubashar Ilyas, Muhammad Abbas, Xiaodong Yin

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  7. 1D Cobalt‐Cytidine Monophosphate Coordination Polymer Exhibiting Efficient Ultraviolet Second‐Harmonic Generation

    Chemistry - A European Journal · 2026-02-09

    Mubashar Ilyas, Lin Xiong, Li Zhang, Maida, Maroof Ahmad Khan, Muhammad Abbas, Nagesh Manurkar, Mudassar Ilyas, Niu Zhang, Hui Li

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  8. Exploring the Effect of Electronic Symmetry on the Hyperpolarizabilities of Co(II) and Ni(II) Coordination Complexes with Cytidine Nucleotide

    Inorganic Chemistry · 2026-03-25

    Mubashar Ilyas, Nagesh Manurkar, Muhammad Abbas, Mudassar Ilyas, Muhammad Haider Zaman, Tahreem Saleem, Maroof Ahmad Khan, Hui Li

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  9. Computational study of Actinonin@Cucurbit[8]uril supramolecular complexes for colorectal cancer therapy

    Talanta · 2026-05-05

    Noria Mostefai, Fatima Yahia Cherif, Houari Boumediene Ouici, Houari Brahim, Abdelmadjid Guendouzi, Lotfi Belkhırı, Boumediene Mostefa, Abdelkrim Guendouzi, Taha Alqahtani, Emad Rashad Sindi, Brototi Chakrabarty, Magdi E. A. Zaki

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  10. A novel pentanuclear cobalt (II)-thiocyanate coordination complex: From NLO responsiveness to in vitro anticancer and anti-alzheimer potential

    Journal of Molecular Structure · 2026-08-10

    Jawher Makhlouf, Sibel Demi̇r Kanmazalp, Yusuf Sert, Füreya Elif Öztürkkan, Arto Valkonen, Wajda Smirani Sta

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  11. Experimental and Computational Analysis of the Nonlinear Optical Responses of Styrylquinoline-Functionalized Polymers for Optoelectronic Applications

    Physica B Condensed Matter · 2026-09-01

    Junhui Lang, D. Guichaoua, Vitaliy Smokal, Oksana Kharchenko, Anna Migalska-Zalas, Galyna Myronchuk, Anatolii S. Andrushchak, Oksana Krupka, B. Sahraoui

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