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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. Rheological and simulation for macromolecular matrix epoxy bi-functional aromatic amines

    Omar Dagdag, Rachid Hsissou, Zaki Safi +7

    MaqolaPolymer crystallization and propertiesPolymer Bulletin20218 iqtibos
    ABI

  2. Atmospheric pressure chemical ionization of explosives using alternating current corona discharge ion source

    Dilshadbek T. Usmanov, L. C. Chen, Zhan Yu +3

    MaqolaMass Spectrometry Techniques and ApplicationsJournal of Mass Spectrometry20157 iqtibos
    ABI

  3. Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

    Naveen Kosar, Tariq Mahmood, Abdulrahman Allangawi +2

    MaqolaMachine Learning in Materials ScienceInorganic Chemistry Communications20243 iqtibos
    ABI

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

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsMolecules20232 iqtibos
    ABI

  5. Relationship between structural properties and biological activity of (-)-menthol and some menthyl esters

    Dilshod Mansurov, Alisher Khaitbaev, Khamid Kh Khaitbaev +2

    MaqolaAnalytical Chemistry and ChromatographyComputational Biology and Chemistry20252 iqtibos
    ABI

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

    Akhtam Amonov, Steve Scheiner

    MaqolaInorganic Fluorides and Related CompoundsPhysical Chemistry Chemical Physics20232 iqtibos
    ABI

  7. Non-proximate mass spectrometry using a heated 1-m long PTFE tube and an air-tight APCI ion source

    Dilshadbek T. Usmanov, Kenzo Hiraoka, Hiroshi Wada +4

    MaqolaMass Spectrometry Techniques and ApplicationsAnalytica Chimica Acta20171 iqtibos
    ABI

  8. Multiple investigations of aqueous Eu(<scp>iii</scp>)–oxalate complexes: the reduction in coordination number and validation of spectral linear correlation

    Dongfan Xian, Wanqiang Zhou, Jingyi Wang +7

    MaqolaLanthanide and Transition Metal ComplexesDalton Transactions20211 iqtibos
    ABI

  9. Determination of Mn(II) ions in soil samples by means of a sensitive sorption-spectroscopic method

    Nazira Madusmanova, Zulayho Smanova, Zukhra Yakhshieva +7

    MaqolaAnalytical chemistry methods developmentTalanta20251 iqtibos
    ABI

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

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20251 iqtibos
    ABI

  11. Synthesis, structure, and assessment of aromaticity of the 1,3,4-oxadiazole ring in N- and S-alkyl derivatives of 5-phenyl-1,3,4-oxadiazol-2-thione using the Bird index

    A. A. Ziyaev, R. Ya. Okmanov, Utkir S. Makhmudov +4

    MaqolaStructural and Chemical Analysis of Organic and Inorganic CompoundsJournal of the Iranian Chemical Society20251 iqtibos
    ABI

  12. Low‐pressure barrier discharge ion source using air as a carrier gas and its application to the analysis of drugs and explosives

    Dilshadbek T. Usmanov, Zhan Yu, Lee Chuin Chen +2

    MaqolaMass Spectrometry Techniques and ApplicationsJournal of Mass Spectrometry20161 iqtibos
    ABI

  13. Competition between Binding to Various Sites of Substituted Imidazoliums

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsThe Journal of Physical Chemistry A20231 iqtibos
    ABI

  14. Promising density functional theory methods for predicting the structures of uranyl complexes

    Haizhu Yu, Can Li, Baihua Chen +5

    MaqolaRadioactive element chemistry and processingRSC Advances20140 iqtibos
    ABI

  15. A theoretical investigation of substituent effects on the stability and reactivity of N-heterocyclic olefin carboxylates

    Liang Dong, Jun Wen, Weiyi Li

    MaqolaChemical Reaction MechanismsOrganic & Biomolecular Chemistry20150 iqtibos
    ABI

  16. A mechanistic study on guanidine-catalyzed chemical fixation of CO<sub>2</sub>with 2-aminobenzonitrile to quinazoline-2,4(1H,3H)-dione

    Weiyi Li, Na Yang, Ya-Jing Lyu

    MaqolaCarbon dioxide utilization in catalysisOrganic Chemistry Frontiers20160 iqtibos
    ABI

  17. Isotope exchange reaction in tritium-contaminated vacuum pump oil: mechanism and HTO effect

    Liang Dong, Na Yang, Yong Yang +7

    MaqolaChemical Reactions and IsotopesRSC Advances20170 iqtibos
    ABI

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

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20230 iqtibos
    ABI

  19. 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

  20. 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

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

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20240 iqtibos
    ABI

  22. 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

  23. 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

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

    Akhtam Amonov, Steve Scheiner

    MaqolaFluorine in Organic ChemistryNew Journal of Chemistry20250 iqtibos
    ABI

  25. Synthesis, Crystal Structure, Spectroscopic Characterization, and Computational Insights into a 5,6,7,8‐Tetrahydroisoquinoline Derivative with Naphthyl Substituent

    Shaaban K. Mohamed, Atazaz Ahsin, Muhammad Ashfaq +7

    MaqolaSynthesis and Biological ActivityCrystal Research and Technology20250 iqtibos
    ABI