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Journal of Molecular Modeling

5 ta ish

Jurnal · ISSN 0948-5023

AkademScholarda batafsil koʻrsatkichlar

  1. Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses

    А. Jumabaev, Stève–Jonathan Koyambo-Konzapa, H. Hushvaktov +7

    MaqolaThermodynamic properties of mixturesJournal of Molecular Modeling202413 iqtibos
    ABI

  2. QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants

    Kunal Roy, Andrey A. Toropov

    MaqolaComputational Drug Discovery MethodsJournal of Molecular Modeling20051 iqtibos
    ABI

  3. Development of new sustainable pyridinium ionic liquids: From reactivity studies to mechanism-based activity predictions

    Bakhtiyor Borikhonov, Elyor Berdimurodov, Tursunali Kholikov +7

    MaqolaIonic liquids properties and applicationsJournal of Molecular Modeling20240 iqtibos
    ABI

  4. Highly efficient lanthanum- and actinium-doped B6/B8 complexes as single-atom catalysts toward superior hydrogen evolution reaction: a DFT perspective

    Naveen Kosar, Tariq Mahmood, Abdulaziz A. Al‐Saadi +5

    MaqolaHydrogen Storage and MaterialsJournal of Molecular Modeling20250 iqtibos
    ABI

  5. Atomistic insights into charge transfer and lattice thermal transport in boron-functionalized DWCNT

    Shakhnozakhon Muminova, Uchkun Kutliyev, Erkin Yusupov +2

    MaqolaOchiq kirishThermal properties of materialsJournal of Molecular Modeling20260 iqtibos
    ABI