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44 та иш

Иш: Synthesis, Characterization, and Computational Studies of the Zinc Bromide Complex with 2-Amino-1,3,4-thiadiazole

  1. <i>SHELXT</i>– Integrated space-group and crystal-structure determination

    George M. Sheldrick

    Мақола2014119 иқтибос
    ABI

  2. <i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

    Peter R. Spackman, Michael J. Turner, Joshua J. McKinnon +4

    Мақола202177 иқтибос
    ABI

  3. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Мақола199374 иқтибос
    ABI

  4. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Мақола200861 иқтибос
    ABI

  5. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

    R. Krishnan, J. Stephen Binkley, Rolf Seeger +1

    Мақола198029 иқтибос
    ABI

  6. Fingerprinting intermolecular interactions in molecular crystals

    Mark A. Spackman, Joshua J. McKinnon

    Мақола200221 иқтибос
    ABI

  7. <i>CrystalExplorer</i>model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

    Campbell F. R. Mackenzie, Peter R. Spackman, Dylan Jayatilaka +1

    Мақола201714 иқтибос
    ABI

  8. The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis

    Christian Jelsch, Krzysztof Ejsmont, Loïc Huder

    Мақола20148 иқтибос
    ABI

  9. 1,3,4-Thiadiazole: Synthesis, Reactions, and Applications in Medicinal, Agricultural, and Materials Chemistry

    Yang Hu, Cuiyun Li, Xiaoming Wang +2

    Шарҳ мақола20147 иқтибос
    ABI

  10. Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

    Michael J. Frisch, John A. Pople, J. Stephen Binkley

    Мақола19847 иқтибос
    ABI

  11. 1,3,4‐Thiadiazole and its Derivatives: A Review on Recent Progress in Biological Activities

    Abhishek Jain, Simant Sharma, Ankur Vaidya +2

    Шарҳ мақола20135 иқтибос
    ABI

  12. Crystal structures, DNA interaction and antiproliferative activities of the cobalt(II) and zinc(II) complexes of 2-amino-1,3,4-thiadiazole with demethylcantharate

    Na Wang, Qiu‐Yue Lin, Jie Feng +3

    Мақола20104 иқтибос
    ABI

  13. Chalcogen Bonding in the Decoration of the Secondary Coordination Sphere of Copper(II) Complexes: Activation of Nitriles, the Auxiliary Ligand Substituent Effect

    Atash V. Gurbanov, Vusala A. Aliyeva, Rosa M. Gomila +3

    Мақола20234 иқтибос
    ABI

  14. Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study

    Maria G. Babashkina, Antonio Frontera, Alexander V. Kertman +3

    Мақола20214 иқтибос
    ABI

  15. Computational analysis of aspirin

    Larisa E. Alkhimova, Maria G. Babashkina, Damir A. Safin

    Мақола20214 иқтибос
    ABI

  16. A readily available structural analogue of integrastatins A and B: Insight into the crystal structure, Hirshfeld surface analysis and computational study

    Larisa E. Alkhimova, Tatyana M. Burkhanova, Maria G. Babashkina +1

    Мақола20224 иқтибос
    ABI

  17. Computational Analysis of Molnupiravir

    Artem V. Sharov, Tatyana M. Burkhanova, Tuğba Taşkın‐Tok +2

    Мақола20224 иқтибос
    ABI

  18. A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins

    Alena I. Krysantieva, Julia К. Voronina, Damir A. Safin

    Мақола20234 иқтибос
    ABI

  19. N'-isonicotinoylpicolinohydrazonamide: Synthesis, crystal structure, DFT and ADMET studies, and in silico inhibition properties toward a series of COVID-19 proteins

    Isabel García‐Santos, A. Castiñeiras, Bagher Eftekhari‐Sis +2

    Мақола20233 иқтибос
    ABI

  20. Cyanosilylation of aldehydes catalyzed by mixed ligand copper(II) complexes

    Atash V. Gurbanov, Ghodrat Mahmoudi, M. Fátima C. Guedes da Silva +3

    Мақола20173 иқтибос
    ABI

  21. The renaissance of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) coordination chemistry

    Damir A. Safin, Jamie M. Frost, Muralee Murugesu

    Мақола20153 иқтибос
    ABI

  22. Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX<sub>2</sub>(X = Cl, Br) in water: trapping of new self-assembled water–chloride/bromide clusters in a [Co(bpca)<sub>2</sub>]<sup>+</sup>host (bpca = bis(2-pyrimidylcarbonyl)amidate anion)

    Damir A. Safin, Patrick M. J. Szell, Antonin Keller +3

    Мақола20153 иқтибос
    ABI

  23. Anion-induced Ag<sup>I</sup>self-assemblies with electron deficient aromatic ligands: anion–π-system interactions as a driving force for templated coordination networks

    Damir A. Safin, Amélie Pialat, Alicea A. Leitch +5

    Мақола20153 иқтибос
    ABI

  24. Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part I: First crystal structure of a TPymT complex with a d-metal cation

    Damir A. Safin, Yang Xu, Ilia Korobkov +2

    Мақола20133 иқтибос
    ABI

  25. Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine

    Damir A. Safin, Nikolay Tumanov, Alicea A. Leitch +3

    Мақола20153 иқтибос
    ABI