131 results on '"Bauzá, Antonio"'
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2. Enzymatic reversion of Pt(ii) nucleophilicity through charge dumping: the case of Pt(CN)42−
3. Importance of Cu and Ag regium–π bonds in supramolecular chemistry and biology: a combined crystallographic and ab initio study
4. Enhancing chalcogen bonding by metal coordination
5. Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems
6. Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering?
7. Selenium chalcogen bonds are involved in protein–carbohydrate recognition: a combined PDB and theoretical study
8. Biological halogen bonds in protein–ligand complexes: a combined QTAIM and NCIPlot study in four representative cases
9. Glutamate carboxypeptidase II as a model system for designing host–guest units: a theoretical approach
10. Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects
11. Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity
12. On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate–polyamine binary ligand systems
13. Halogen⋯halogen interactions in decahalo-closo-carboranes: CSD analysis and theoretical study
14. Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex
15. Binuclear and tetranuclear Zn(ii) complexes with thiosemicarbazones: synthesis, X-ray crystal structures, ATP-sensing, DNA-binding, phosphatase activity and theoretical calculations
16. Formation of an imidazoliumyl-substituted [(LC)4P4]4+tetracation and transition metal mediated fragmentation and insertion reaction (LC= NHC)
17. Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands
18. closo-Carboranes as dual CH⋯π and BH⋯π donors: theoretical study and biological significance
19. H-Bonded anion–anion complexes in fentanyl citrate polymorphs and solvates
20. Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions
21. A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution
22. On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds
23. σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight
24. Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study
25. Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands
26. Screening polymorphism in a Ni(ii) metal–organic framework: experimental observations, Hirshfeld surface analyses and DFT studies
27. A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH
28. Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin
29. Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors
30. H-Bonded anion–anion complex trapped in a squaramido-based receptor
31. Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization
32. Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation
33. Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes
34. One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities
35. Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study
36. Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring
37. Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates
38. Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity
39. Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]triazines
40. Quantifying conventional C–H⋯π(aryl) and unconventional C–H⋯π(chelate) interactions in dinuclear Cu(ii) complexes: experimental observations, Hirshfeld surface and theoretical DFT study
41. Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations
42. Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine–glycine and adenine–glycylglycine molecules
43. Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C–H⋯π(bimetallo ring) interactions
44. Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(ii) Schiff base complexes
45. A Schiff base platform: structures, sensing of Zn(ii) and PPi in aqueous medium and anticancer activity
46. Cooperative influence of pseudohalides and ligand backbone of Schiff-bases on nuclearity and stereochemistry of cobalt(iii) complexes: experimental and theoretical investigation
47. Estimation of conventional C–H⋯π (arene), unconventional C–H⋯π (chelate) and C–H⋯π (thiocyanate) interactions in hetero-nuclear nickel(ii)–cadmium(ii) complexes with a compartmental Schiff base
48. Correction: Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)
49. Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymers
50. Solid-state inclusion of C60 and C70 in a co-polymer induced by metal–ligand coordination of a Zn–porphyrin cage with a bis-pyridyl perylene derivative
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