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110 ta ish

Ish: Multiwfn: A multifunctional wavefunction analyzer

  1. Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations

    Stève–Jonathan Koyambo-Konzapa, Berthelot Saïd Duvalier Ramlina Vamhindi, Bekzod Khudaykulov +5

    MaqolaFree Radicals and AntioxidantsPLoS ONE20250 iqtibos
    ABI

  2. Development of a promising sensor for the detection of 5FU anti-cancer drug with Pt-decorated Irida-graphene monolayer

    Chou‐Yi Hsu, Thanaa Amir Ahmed, Egambergan Khudoynazarov +8

    MaqolaGraphene research and applicationsMaterials Chemistry and Physics20250 iqtibos
    ABI

  3. Fluorescence Properties of (E)-4-((2-fluorobenzylidene) amino) Benzenesulfonamide: Synthesis, Spectroscopic, Cyclic Voltammetry, Antibacterial, and Molecular Docking Studies

    K.P. Lisha, Sami A. Al‐Hussain, N. Elangovan +4

    MaqolaMetal complexes synthesis and propertiesJournal of Fluorescence20250 iqtibos
    ABI

  4. Utilization of expired drug Rosuvastatin as an efficient corrosion inhibitor for mild steel in 0.5 M H2SO4: a step toward the sustainability

    Jasdeep Kaur, Akhil Saxena, Konstantin P. Katin +2

    MaqolaCorrosion Behavior and InhibitionThe European Physical Journal Plus20250 iqtibos
    ABI

  5. Highly sensitive anticancer drug sensor based on Al decorated tetragonal boron nitride monolayer: Its sensing mechanism by density functional theory calculation

    Ayman M. Al-Qaaneh, Munthar Kadhim Abosaoda, Prakash Kanjariya +6

    MaqolaBoron and Carbon Nanomaterials ResearchColloids and Surfaces A Physicochemical and Engineering Aspects20250 iqtibos
    ABI

  6. Enhancing H2S detection: the role of Al doping concentration in the electronic properties of ZnO nanocages

    Qusay Rasheed Al-Amir, Abdulrahman T. Ahmed, Prakash Kanjariya +7

    MaqolaGas Sensing Nanomaterials and SensorsChemical Physics Letters20250 iqtibos
    ABI

  7. All Organic Bulk Heterojunction Antibacterial Nanoparticles Prepared by Conjugated Donor Polymer and ITIC Acceptor

    Jiaxuan Wang, Danni Wang, Jing Lv +5

    MaqolaConducting polymers and applicationsMacromolecular Chemistry and Physics20250 iqtibos
    ABI

  8. Hydroxyethyl Urea Crystal Hydrate: Experimental and Theoretical Study

    Utkirjon Holikulov, Аleksandr S. Kazachenko, Noureddine Issaoui +5

    MaqolaMethane Hydrates and Related PhenomenaJournal of Computational Biophysics and Chemistry20250 iqtibos
    ABI

  9. Using DFT to explore the sensitivity of pure and vacancy-defected BC6N monolayer towards formaldehyde gas

    Chou‐Yi Hsu, Ehab Yassen Theab, Shaxnoza Saydaxmetova +8

    MaqolaBoron and Carbon Nanomaterials ResearchColloids and Surfaces A Physicochemical and Engineering Aspects20250 iqtibos
    ABI

  10. Adjustment of the Proton‐Accepting Ability of Π‐Bonds and Lone Pairs

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20250 iqtibos
    ABI

  11. Intermolecular interactions in acetate esters: a Raman spectroscopy and theoretical analysis of the non-coincidence effect

    Shavkatjon Yormatov, Utkirjon Holikulov, А. Jumabaev +4

    MaqolaSpectroscopy and Quantum Chemical StudiesMonatshefte für Chemie - Chemical Monthly20250 iqtibos
    ABI

  12. rac-Diethyl-4-methyl-2-phenyl-6-(2-carbamothioylhydrazineylidene)cyclohex-4-en-1,3-dicarboxylate: Synthesis, characterization and computational studies

    Elizaveta V. Panova, Bakhtiyor Ganiev, N. G. Sevinchov +3

    MaqolaMetal complexes synthesis and propertiesJournal of Molecular Structure20250 iqtibos
    ABI

  13. Structurally Intelligent Recognition and Enrichment of Photo‐Responsive Dual‐Monomer Imprinted Polymers for β‐Sitosterol in <i>Camellia</i> Oil

    Yuling Chen, Yunong Tian, Jiahao Ouyang +4

    MaqolaCholesterol and Lipid MetabolismPolymer Engineering and Science20250 iqtibos
    ABI

  14. Breaking the lifetime-efficiency trade-off in blue organic room-temperature phosphorescence through site-directed boronate engineering

    Dong Ding, Xinyue Xu, Jing Lv +4

    MaqolaLuminescence and Fluorescent MaterialsDyes and Pigments20250 iqtibos
    ABI

  15. Process-Mechanized Green Approach to Organic Phosphorescence: From Mechanochemistry Synthesis to 3D Printing

    Xinyue Xu, Xinyu Ding, Guangming Meng +6

    MaqolaLuminescence and Fluorescent MaterialsThe Journal of Physical Chemistry Letters20260 iqtibos
    ABI

  16. Modulating Room-Temperature Phosphorescence by Coordination Interactions and Structural Rigidity in Dual-Ligand MOFs

    Xiaolin Yu, Zixuan Zhou, D. I. Pavlov +9

    MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsInorganic Chemistry20260 iqtibos
    ABI

  17. DFT Insights into the Adsorption Mechanisms and Electronic Modulation of α-Phographene Toward Metal and Molecular Species: From Physisorption to Quasi Covalent Binding

    Qamar Abuhassan, Ahmed Kareem Obaid Aldulaimi, Omayma Salim Waleed +8

    MaqolaGraphene research and applicationsJournal of Inorganic and Organometallic Polymers and Materials20260 iqtibos
    ABI

  18. Constructing an Optimum Receptor Based on Trifurcated Chalcogen Bonding

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsInorganic Chemistry20260 iqtibos
    ABI

  19. Synthesis, crystal structures, DFT calculations, and hirshfeld surface analysis of tris(quinolin-8-olato-κ²N,O)cobalt(III) acetic acid monosolvate and Bis(μ-quinolin-8-olato-κ²N,O)diaquabis(nitrato-κ²O,O′)dinickel(II) complexes

    Yusufjon Nazarov, Khayit Kh. Turaev, Sherzod A. Kasimov +6

    MaqolaMetal complexes synthesis and propertiesJournal of Molecular Structure20260 iqtibos
    ABI

  20. Discriminative adsorption and sensing of air pollutants for public health by graphdiyne: irreversible adsorption and selectivity toward NO2 revealed by DFT

    Bhishma Karki, Ali B.M. Ali, G. PadmaPriya +8

    MaqolaGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20260 iqtibos
    ABI

  21. Theoretical insights into the application of petal Graphyne monolayer as a promising sensor for propylene oxide

    Qamar Abuhassan, Kamel A. Saleh, Omayma Salim Waleed +8

    MaqolaGas Sensing Nanomaterials and SensorsJournal of Molecular Graphics and Modelling20260 iqtibos
    ABI

  22. Selective gas sensing and electronic response of Al-decorated phographene (Al-d-PHOG) nanosheets: Insights from DFT and electron density analyses

    Bhishma Karki, Ahmed Aldulaimi, Omayma Salim Waleed +8

    MaqolaGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20260 iqtibos
    ABI

  23. Solvent Effects on the Structural and Electronic Properties of Triallyl Isocyanurate: Experimental and Theoretical Investigation

    E. Taniş, F. Akman, U. Holikulov +4

    MaqolaSynthesis and Properties of Aromatic CompoundsRussian Journal of Physical Chemistry B20260 iqtibos
    ABI

  24. Mixed-amine-regulated siloxane-disulfide epoxy vitrimers for residual stress relaxation, dielectric reliability, and electro-hygro aging resistance

    Yiwei Wang, Li Zhang, Guan Wang +2

    MaqolaDielectric materials and actuatorsPolymer Degradation and Stability20260 iqtibos
    ABI

  25. Isomer design unlocks rainbow phosphorescence

    Xinyue Xu, Dong Ding, Xinyu Ding +4

    MaqolaLuminescence and Fluorescent MaterialsNature Communications20260 iqtibos
    ABI