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29 ta ish

Ish: The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

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

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20250 iqtibos
    ABI

  2. Assessing a B12C12 nanocage for the pyrazinamide drug adsorption along with DFT insights for providing drug up-take platforms

    Chou‐Yi Hsu, Hadil Faris Alotaibi, Shahad Mohammed Dhiaa Younis +3

    MaqolaBoron and Carbon Nanomaterials ResearchJournal of the Indian Chemical Society20250 iqtibos
    ABI

  3. Constructing an Optimum Receptor Based on Trifurcated Chalcogen Bonding

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsInorganic Chemistry20260 iqtibos
    ABI

  4. 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