All Stories

  1. Intermolecular interactions of tetracyanoethylene (TCNE) and fumaronitrile (FN) with minor amines: A combined UV–Vis and EPR study
  2. Co3O4-ZrO2 and Co3O4-Nb2O5 crystalline-amorphous composites for H2O2 activation via Fenton-like and electroprotic processes – Proof of concept
  3. Relevance of the electron transfer pathway in photodynamic activity of Ru(ii) polypyridyl complexes containing 4,7-diphenyl-1,10-phenanthroline ligands under normoxic and hypoxic conditions
  4. Analysis of NH 3 ‐TPD Profiles for CuSSZ‐13 SCR Catalyst of Controlled Al Distribution – Complexity Resolved by First Principles Thermodynamics of NH 3 Desorption, IR and EPR Insight into Cu Speciation**
  5. The Cytotoxic Effect of Copper (II) Complexes with Halogenated 1,3-Disubstituted Arylthioureas on Cancer and Bacterial Cells
  6. Enhanced adsorption and degradation of methylene blue over mixed niobium-cerium oxide – Unraveling the synergy between Nb and Ce in advanced oxidation processes
  7. Structure and mechanistic relevance of Ni2+–NO adduct in model HC SCR reaction over NiZSM-5 catalyst – Insights from standard and correlation EPR and IR spectroscopic studies corroborated by molecular modeling
  8. Correction to “Cu(II) Complexes with FomA Protein Fragments of Fusobacterium Nucleatum Increase Oxidative Stress and Malondialdehyde Level”
  9. Redox states of nickel in zeolites and molecular account into binding of N2 to nickel(I) centers – IR, EPR and DFT study
  10. Photogeneration of reactive oxygen species over ultrafine TiO2 particles functionalized with rutin–ligand induced sensitization and crystallization effects
  11. Cu(II) Complexes with FomA Protein Fragments of Fusobacterium Nucleatum Increase Oxidative Stress and Malondialdehyde Level
  12. Stability of Cu(ii) complexes with FomA protein fragments containing two His residues in the peptide chain
  13. Molecular structures of nickel adducts in zeolites – Interpretation of experimental EPR g-tensors guided by DFT calculations
  14. ROS-mediated lipid peroxidation as a result of Cu(ii) interaction with FomA protein fragments of F. nucleatum: relevance to colorectal carcinogenesis
  15. Physicochemical and electrochemical properties of the carbon materials containing nitrogen and cobalt derived from acetonitrile and Co–Al layered double hydroxides
  16. Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligands
  17. Corrigendum to “Nitrogen-doped carbon materials derived from acetonitrile and Mg-Co-Al layered double hydroxides as electrocatalysts for oxygen reduction reaction” [Electrochim. Acta 212 (2016) 47–58]
  18. Mn 3+ -saturated bovine lactoferrin as a new complex with potential prebiotic activities for dysbiosis treatment and prevention – On the synthesis, chemical characterization and origin of biological activity
  19. Synthesis, structural studies and biological activity of novel Cu(II) complexes with thiourea derivatives of 4-azatricyclo[5.2.1.0 2,6 ]dec-8-ene-3,5-dione
  20. Generation of Reactive Oxygen Species via Electroprotic Interaction of H2O2 with ZrO2 Gel: Ionic Sponge Effect and pH-Switchable Peroxidase- and Catalase-Like Activity
  21. Role of chain length of the capping agents of iron oxide based fuel borne catalysts in the enhancement of soot combustion activity
  22. Structure dependent charge transfer in bipyrimidinium–octacyanotungstate ion pairs
  23. Nitrogen-doped carbon materials derived from acetonitrile and Mg-Co-Al layered double hydroxides as electrocatalysts for oxygen reduction reaction
  24. Paramagnetic dioxovanadium(iv) molecules inside the channels of zeolite BEA – EPR screening of VO2 reactivity toward small gas-phase molecules
  25. Diagnostic Features of EPR Spectra of Superoxide Intermediates on Catalytic Surfaces and Molecular Interpretation of Their g and A Tensors
  26. Search for reactive intermediates in catalytic oxidation with hydrogen peroxide over amorphous niobium(V) and tantalum(V) oxides
  27. Nitration and reduction route to surface groups of mesoporous carbons obtained from sucrose and phloroglucinol/formaldehyde precursors
  28. New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains
  29. ChemInform Abstract: Molecular Interpretation of EPR Parameters — Computational Spectroscopy Approaches
  30. Temperature-dependent orientation of self-organized nanopatterns on ion-irradiated TiO2(110)
  31. Intimate Binding Mechanism and Structure of Trigonal Nickel(I) Monocarbonyl Adducts in ZSM-5 Zeolite—Spectroscopic Continuous Wave EPR, HYSCORE, and IR Studies Refined with DFT Quantification of Disentangled Electron and Spin Density Redistributions al...
  32. Electron Paramagnetic Resonance Spectroscopy of Inorganic Materials
  33. Molecular interpretation of EPR parameters - computational spectroscopy approaches
  34. ChemInform Abstract: Electron Paramagnetic Resonance Spectroscopy
  35. Preparation and characterization of SBA-1–supported chromium oxide catalysts for CO2 assisted dehydrogenation of propane
  36. Electron Paramagnetic Resonance Spectroscopy
  37. Selective catalytic reduction of NO with propene over cobalt centers in beta zeolite
  38. Heterogeneous Binding of Dioxygen: EPR and DFT Evidence for Side-On Nickel(II)–Superoxo Adduct with Unprecedented Magnetic Structure Hosted in MFI Zeolite
  39. Role of NOδ+ Intermediates in NO Reduction with Propene over NiZSM-5 Zeolite Revealed by EPR and IR Spectroscopic Investigations and DFT Modeling
  40. THE ROLE OF INTERMEDIATE CALCIUM ALUMINATE PHASES IN SOLID STATE SYNTHESIS OF MAYENITE (Ca 12 Al 14 O 33 )
  41. Magnetic Properties of Monomer and Dimer Tetrahedral VO x Entities Dispersed on Amorphous Silica-based Materials: Prediction of EPR Parameters from Relativistic DFT Calculations and Broken Symmetry Approach to Exchange Couplings
  42. Spin Ground State and Magnetic Properties of Cobalt(II): Relativistic DFT Calculations Guided by EPR Measurements of Bis(2,4-acetylacetonate)cobalt(II)-Based Complexes
  43. Spectroscopic CW-EPR and HYSCORE investigations of Cu2+ and O2− species in copper doped nanoporous calcium aluminate (12CaO·7Al2O3)
  44. Investigations into the Structure of Nitrogen-Containing CMK-3 and OCM-0.75 Carbon Replicas and the Nature of Surface Functional Groups by Spectroscopic and Sorption Techniques
  45. Resolving Conformation Dichotomy for Y‐ and T‐Shaped Three‐Coordinate NiI Carbonyl Complexes with Relativistic DFT Analysis of EPR Fingerprints
  46. DFT Analysis of g and 13C Hyperfine Coupling Tensors for Model NiI(CO)nLm (n = 1−4, L = H2O, OH−) Complexes Epitomizing Surface Nickel(I) Carbonyls
  47. Generation, Identification, and Reactivity of Paramagnetic VO2 Centers in Zeolite BEA for Model Studies of Processes Involving Spin Pairing, Electron Transfer, and Oxygen Transfer
  48. Combining computational and in situ spectroscopies joint with molecular modeling for determination of reaction intermediates of deNOx process—CuZSM-5 catalyst case study
  49. Characterization of Cr−MCM-41 and Al,Cr−MCM-41 Mesoporous Catalysts for Gas-Phase Oxidative Dehydrogenation of Cyclohexane
  50. Co2+/Co0 redox couple revealed by EPR spectroscopy triggers preferential coordination of reactants during SCR of NOx with propene over cobalt-exchanged zeolites
  51. Computational spectroscopy and DFT investigations into nitrogen and oxygen bond breaking and bond making processes in model deNOx and deN2O reactions
  52. Chapter 2 DFT modeling and spectroscopic investigations into molecular aspects of DeNOx catalysis
  53. EPR and DFT study of NO interaction with Ni/SiO2 catalyst: Insight into mechanistic steps of disproportionation process promoted by tripodal surface nickel complex
  54. DFT calculations of magnetic parameters for molybdenum complexes and hydroxymethyl intermediates trapped on silica surface
  55. Relativistic Density Functional Calculations of EPR g Tensor for η{CuNO}11 Species in Discrete and Zeolite-Embedded States
  56. Application of Genetic Algorithm for Extraction of the Parameters from Powder EPR Spectra
  57. Spectroscopy and Computations of Supported Metal Adducts. 1. DFT Study of CO and NO Adsorption and Coadsorption on Cu/SiO2
  58. EPR spectroscopy and DFT calculations of the g tensors of {VO}1/ZSM-5, {CuNO}11/ZSM-5 and {NaNO}1/ZSM-5 intrazeolitic complexes
  59. Speciation of cobalt in CoZSM-5 upon thermal treatment
  60. Application of the Genetic Algorithm Joint with the Powell Method to Nonlinear Least-Squares Fitting of Powder EPR Spectra
  61. Paramagnetic species on catalytic surfaces—DFT investigations into structure sensitivity of the hyperfine coupling constants
  62. The interaction of Co and No with Co sites in CoZSM-5 zeolite. FTIR, EPR and theoretical studies
  63. Molecular Structure, Spin Density Distribution, and Hyperfine Coupling Constants of theη1{CuNO}11Adduct in the ZSM-5 Zeolite:  DFT Calculations and Comparison with EPR Data
  64. Speciation and structure of cobalt carbonyl and nitrosyl adducts in ZSM-5 zeolite investigated by EPR, IR and DFT techniques