Journal of Molecular Modeling

Работ: 5

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

   СтатьяThermodynamic properties of mixturesJournal of Molecular Modeling2024Цитирований: 8

   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

   СтатьяComputational Drug Discovery MethodsJournal of Molecular Modeling2005Цитирований: 1

   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

   СтатьяIonic liquids properties and applicationsJournal of Molecular Modeling2024Цитирований: 0

   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

   СтатьяHydrogen Storage and MaterialsJournal of Molecular Modeling2025Цитирований: 0

   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

   СтатьяThermal properties of materialsJournal of Molecular Modeling2026Цитирований: 0

   ABIABI:AkademIndex/openalex/2026.article.014402