46 results on '"Bauzá, Antonio"'
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2. Two new hydrogen-bonded supramolecular dioxo-molybdenum(VI) complexes based on acetyl-hydrazone ligands: Synthesis, crystal structure and DFT studies
3. σ/π-Hole noble gas bonding interactions: Insights from theory and experiment
4. Tetrel bonding interactions at work: Impact on tin and lead coordination compounds
5. Copper(II) polyamine chelates as efficient receptors for acyclovir: syntheses, crystal structures and dft study
6. Estimating the energy of noncovalent interactions in a dioxovanadium(V) Schiff base complex: Exploration of its phenoxazinone synthase like activity
7. A polynuclear and two dinuclear copper(II) Schiff base complexes: Synthesis, characterization, self-assembly, magnetic property and DFT study
8. Influence of ancillary ligands on preferential geometry and biomimetic catalytic activity in manganese(III)-catecholate systems: A combined experimental and theoretical study
9. Synthesis and structure of 1,3-dimethyl-5-(p-sulfonamide-phenylazo)-6-aminouracil and its Ni(II) complex: Topological insights and investigation for noncovalent interactions
10. Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: A combined experimental and theoretical analysis
11. Pseudohalides regulated diverse helicity in copper(II) coordination polymers derived from a bis(aminoethoxy) ligand
12. Observation of π-hole interactions in the solid state structures of three new copper(II) complexes with a tetradentate N4 donor Schiff base: Exploration of their cytotoxicity against MDA-MB 468 cells
13. Exploration of photocatalytic activity of an end-on azide bridged one-dimensional cadmium(II) Schiff base complex for the degradation of organic dye in visible light
14. The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex
15. Modulation in π⋯π, cation⋯π and C–H⋯H–C interactions varying the counter anions in square planar nickel(II) Schiff base complexes: A combined experimental and theoretical study
16. A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases
17. Synthesis, X-ray characterization and DFT study of a novel Fe(III)–pyridine-2,6-dicarboxylic acid N-oxide complex with unusual coordination mode
18. Three mononuclear octahedral cobalt(III) complexes with salicylaldimine Schiff bases: Synthesis, characterization, phenoxazinone synthase mimicking activity and DFT study on supramolecular interactions
19. A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms
20. Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies
21. Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations
22. Importance of chelate–chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate ligands
23. Structural diversity and non-covalent interactions in Cd(II) and Zn(II) complexes derived from 3,5-dinitrobenzoic acid and pyridine: Experimental and theoretical aspects
24. An experimental and computational investigations of supramolecular anion–π/π–π/π–anion assemblies in mononuclear Zn(II) complexes with a versatile tetradentate N-donor Schiff base ligand
25. New chloride-dimethylsulfoxide-iridium(III) complex with histaminium
26. Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel(II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study
27. Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand
28. Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights
29. Supramolecular interactions through lone pair(lp)–π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N′-dimethylvioluric acid: A combined experimental and theoretical study
30. A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline
31. Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes
32. Synthesis, structure and DFT study of a chelidamic acid based Cu coordination polymer: On the importance of π–π interactions and hexameric water clusters
33. Synthesis, structure, solution and DFT studies of a pyrazine-bridged binuclear Cu(II) complex: On the importance of noncovalent interactions in the formation of crystalline network
34. A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer
35. A new oxo centered basic p-chlorobenzoate bridging heterotrinuclear complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray crystal structure and theoretical DFT study
36. Structural basis for molecular recognition, theoretical studies and anti-bacterial properties of three bis-uracil derivatives
37. Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations
38. Synthesis, structural characterization, theoretical calculations and catecholase mimetic activity of manganese-Schiff base complexes
39. Quadrupole moment versus Molecular Electrostatic Potential: Strange behavior of ethynyl-substituted benzenes
40. Dinuclear and heptanuclear nickel(II) complexes: Anion coordination induced ligand arm hydrolysis and aggregation around a nickel(II) core
41. Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones
42. Estimating ring strain energies in small carbocycles by means of the Bader’s theory of ‘atoms-in-molecules’
43. Theoretical ab initio study of anion–π interactions in inorganic rings
44. The roles of H-bonding, π-stacking, and antiparallel CO ⋯ CO interactions in the formation of a new Gd(III) coordination polymer based on pyridine-2,6-dicarboxylic acid
45. Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine)
46. Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion–π interactions
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