Journal of Molecular Modeling

5 та иш

Журнал · ISSN 0948-5023

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

   МақолаThermodynamic properties of mixturesJournal of Molecular Modeling20248 иқтибос

   ABIABI:AkademIndex/openalex/2024.article.000075

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

   МақолаComputational Drug Discovery MethodsJournal of Molecular Modeling20051 иқтибос

   ABIABI:AkademIndex/openalex/2005.article.000068

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

   Bakhtiyor Borikhonov, Elyor Berdimurodov, Tursunali Kholikov +7

   МақолаIonic liquids properties and applicationsJournal of Molecular Modeling20240 иқтибос

   ABIABI:AkademIndex/openalex/2024.article.001689

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

   МақолаHydrogen Storage and MaterialsJournal of Molecular Modeling20250 иқтибос

   ABIABI:AkademIndex/openalex/2025.article.009950

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

   Shakhnozakhon Muminova, Uchkun Kutliyev, Erkin Yusupov +2

   МақолаThermal properties of materialsJournal of Molecular Modeling20260 иқтибос

   ABIABI:AkademIndex/openalex/2026.article.014402