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25 ta ish

Ish: The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

  1. A study of H2CO•••HF Complex by Advanced Quantum Mechanical Methods

    Akhtam Amonov, G. Murоdоv, К. Г. Тохадзе +2

    MaqolaMolecular Spectroscopy and StructureUkrainian Journal of Physics20203 iqtibos
    ABI

  2. Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsMolecules20232 iqtibos
    ABI

  3. Heavy pnicogen atoms as electron donors in sigma-hole bonds

    Akhtam Amonov, Steve Scheiner

    MaqolaInorganic Fluorides and Related CompoundsPhysical Chemistry Chemical Physics20232 iqtibos
    ABI

  4. Assessment of the adsorption mechanism of amantadine drug onto pristine, Si- and Ge-doped Al12N12, and Al12P12 nanocages: A comparative DFT study

    Maedeh Kamel, Ebraheem Abdu Musad Saleh, Kamal Mohammadifard +4

    MaqolaBoron and Carbon Nanomaterials ResearchMaterials Chemistry and Physics20231 iqtibos
    ABI

  5. Competition Between Halogen Atom and Ring of Halobenzenes as Hydrogen Bond Electron Donor Sites

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20251 iqtibos
    ABI

  6. Competition between Binding to Various Sites of Substituted Imidazoliums

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsThe Journal of Physical Chemistry A20231 iqtibos
    ABI

  7. Nuclearity versus oxidation state in the catalytic efficiency of Mn<sup>II/III</sup>azo Schiff base complexes: computational study on supramolecular interactions and phenoxazinone synthase-like activity

    Saikat Banerjee, Paula Brandão, Antonio Bauzá +4

    MaqolaMetal complexes synthesis and propertiesNew Journal of Chemistry20170 iqtibos
    ABI

  8. RETRACTED: Investigation of crotonaldehyde adsorption on pure and Pd-decorated GaN nanotubes: A density functional theory study

    Saade Abdalkareem Jasim, Maria Jade Catalan Opulencia, Ali Majdi +4

    MaqolaGas Sensing Nanomaterials and SensorsSolid State Communications20220 iqtibos
    ABI

  9. Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20230 iqtibos
    ABI

  10. A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages

    Vincent de Paul Zoua, Fritzgerald Kogge Bine, Ismaèl Figapka Pagoré +2

    MaqolaBoron and Carbon Nanomaterials ResearchComputational and Theoretical Chemistry20240 iqtibos
    ABI

  11. Spodium Bonding to Dicoordinated Group 12 Atoms

    Akhtam Amonov, Steve Scheiner

    MaqolaSynthesis and characterization of novel inorganic/organometallic compoundsThe Journal of Physical Chemistry A20240 iqtibos
    ABI

  12. Development of pivalic acid conjugated Nafion modified glassy carbon electrode for sensitive detection of Cu(II) by electrochemical approach

    Tayyeba Noreen, Amna Siddique, Tahir Ali Sheikh +12

    MaqolaElectrochemical Analysis and ApplicationsInorganica Chimica Acta20240 iqtibos
    ABI

  13. Halogen Bonding to the π‐Systems of Polycyclic Aromatics

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20240 iqtibos
    ABI

  14. Types of noncovalent bonds within complexes of thiazole with CF<sub>4</sub> and SiF<sub>4</sub>

    Steve Scheiner, Akhtam Amonov

    MaqolaInorganic Fluorides and Related CompoundsPhysical Chemistry Chemical Physics20240 iqtibos
    ABI

  15. Semicoordinate versus σ-Hole Bonding of Group 10 Metal Atoms in a Square Planar Motif

    Akhtam Amonov, Steve Scheiner

    MaqolaX-ray Diffraction in CrystallographyInorganic Chemistry20250 iqtibos
    ABI

  16. Replacement of hydrogen by halogen bonds within nucleic acid base pairs

    Akhtam Amonov, Steve Scheiner

    MaqolaFluorine in Organic ChemistryNew Journal of Chemistry20250 iqtibos
    ABI

  17. DFT study of pure and Pt-decorated BN nanocone as a nanocarrier for nitrosourea anticancer drug

    Yousef A. Bin Jardan, Fadhel F. Sead, Dharmesh Sur +6

    MaqolaBoron and Carbon Nanomaterials ResearchJournal of Molecular Graphics and Modelling20250 iqtibos
    ABI

  18. Development of efficient both work function and electric type sensor for the detection of nitrous oxide toxic gas via TM metal boron nitride graphdiyne nanosheets: A DFT study

    Chou-Yi Hsu, Tanveer Ahmed, Muyassar Norberdiyeva +8

    MaqolaGraphene research and applicationsJournal of Photochemistry and Photobiology A Chemistry20250 iqtibos
    ABI

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

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20250 iqtibos
    ABI

  20. Intermolecular interactions of hydrogen-bonded complexes: IR absorption spectra and DFT calculations

    G. Nurmurodova, G. Murоdоv, Gayrat Sharifov +1

    MaqolaNonlinear Optical Materials ResearchAIP conference proceedings20250 iqtibos
    ABI

  21. 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

  22. Constructing an Optimum Receptor Based on Trifurcated Chalcogen Bonding

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsInorganic Chemistry20260 iqtibos
    ABI

  23. Employing Ti-doped BN nanocone for the drug delivery of hydroxyurea anticancer: outlook of DFT calculations

    Narinderjit Singh Sawaran Singh, G. PadmaPriya, Subhashree Ray +9

    MaqolaBoron and Carbon Nanomaterials ResearchMolecular Simulation20260 iqtibos
    ABI

  24. Teetotum-shaped B18 nanocluster anchoring Pd atoms as a single-atom catalyst for enhanced electrochemical nitrogen reduction

    Nagendra P. Yadav, Ghada Al-Assi, Narinderjit Singh Sawaran Singh +8

    MaqolaAmmonia Synthesis and Nitrogen ReductionInorganic Chemistry Communications20260 iqtibos
    ABI

  25. Effects of Halogen Bond, Hydrogen Bond, and π‐Tetrel Bond on the Internal CC Bond of Halogenated Ethylene

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20260 iqtibos
    ABI