All Stories

  1. Simultaneous encapsulation of discrete water hexamer and infinite T4(0)A(0) water tape in the 3D architecture of a hydrated Cu(II) supramolecular dimer: A combined experimental and theoretical study
  2. Integrative Experimental and DFT Study of Sulfonyl Hybrid Benzimidazole‐Based Zwitterions: Crystallography, HSA, and Electronic Properties
  3. Planar π‒π stacking interactions stabilized 3D structure of a dimeric Zn(II) complex: Crystal structure, DFT calculations, and anti-Alzheimer and anti-Parkinson potentials
  4. Molecular Dynamic Simulations of Dual Inhibitors for AChE and BChE; Theoretical and Experimental Approaches
  5. Crystal structure, molecular docking with SARS-CoV-2 receptors, and potential drug property of tetrahedral Zn(II) complexes
  6. Molecular docking with SARS-CoV-2 and potential drug property of a bioactive novel Zn(II) polymer: A combined experimental and theoretical study
  7. Potential Nitrogen-Based Heterocyclic Compounds for Treating Infectious Diseases: A Literature Review
  8. Antiparallel π···π and C−H···H−C contacts in a novel Zn(II) coordination solid involving π-hole tetrel bonding interactions: A combined experimental and theoretical study, Hirshfeld surface analysis, molecular docking and potential drug property
  9. Energetically significant antiparallel π-stacking contacts in Co(II), Ni(II) and Cu(II) coordination compounds of pyridine-2,6-dicarboxylates: Antiproliferative evaluation and theoretical studies
  10. Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies
  11. Supramolecular association involving antiparallel CO⋯CO and anion–π contacts in Co(II) and Mn(II) complexes involving 2,5-pyridinedicarboxylate: Anticancer evaluation and theoretical studies
  12. Cu(II) and Co(II) coordination solids involving unconventional parallel nitrile(π)‒nitrile(π) and energetically significant cooperative hydrogen bonding: Experimental and theoretical studies
  13. Supramolecular association involving nitrile–nitrile interactions in polymeric Mn(II) coordination complexes: A combined experimental and theoretical study
  14. Supramolecular association in Cu(II) and Co(II) coordination complexes of 3,5-dimethylpyrazole: Experimental and theoretical studies
  15. An unusual werner type clathrate of Mn(II) benzoate involving energetically significant weak C H⋯C contacts: A combined experimental and theoretical study
  16. Structural Topology of Weak Non-covalent Interactions in a Layered Supramolecular Coordination Solid of Zinc Involving 3-Aminopyridine and Benzoate: Experimental and Theoretical Studies