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44 ta ish

Ish: 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

    Maqola2014119 iqtibos
    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

    Maqola202177 iqtibos
    ABI

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

    Axel D. Becke

    Maqola199374 iqtibos
    ABI

  4. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200861 iqtibos
    ABI

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

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

    Maqola198029 iqtibos
    ABI

  6. Fingerprinting intermolecular interactions in molecular crystals

    Mark A. Spackman, Joshua J. McKinnon

    Maqola200221 iqtibos
    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

    Maqola201714 iqtibos
    ABI

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

    Christian Jelsch, Krzysztof Ejsmont, Loïc Huder

    Maqola20148 iqtibos
    ABI

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

    Yang Hu, Cuiyun Li, Xiaoming Wang +2

    Sharh maqola20147 iqtibos
    ABI

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

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

    Maqola19847 iqtibos
    ABI

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

    Abhishek Jain, Simant Sharma, Ankur Vaidya +2

    Sharh maqola20135 iqtibos
    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

    Maqola20104 iqtibos
    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

    Maqola20234 iqtibos
    ABI

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

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

    Maqola20214 iqtibos
    ABI

  15. Computational analysis of aspirin

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

    Maqola20214 iqtibos
    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

    Maqola20224 iqtibos
    ABI

  17. Computational Analysis of Molnupiravir

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

    Maqola20224 iqtibos
    ABI

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

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

    Maqola20234 iqtibos
    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

    Maqola20233 iqtibos
    ABI

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

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

    Maqola20173 iqtibos
    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

    Maqola20153 iqtibos
    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

    Maqola20153 iqtibos
    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

    Maqola20153 iqtibos
    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

    Maqola20133 iqtibos
    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

    Maqola20153 iqtibos
    ABI