All Stories

  1. Compounds of Group 14 Elements with an Element–Element (E = Si, Ge, Sn) Bond: Effect of the Nature of the Element Atom
  2. New chemical markers based on phthaleins
  3. Quantum chemical modeling of ligand substitution in cationic nitrosyl iron complexes
  4. Hypercoordinate oligogermane
  5. Quantum chemical approaches to the explanation of differences in NO-donor activity of iron-sulfur nitrosyl complexes
  6. “Donor–Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties
  7. DFT investigation of the thermodynamics and mechanism of electrophilic chlorination and iodination of arenes
  8. ChemInform Abstract: Investigation of the Electronic Structure of SnCl4L2, TiCl4L2 and SbCl5L Complexes by X-Ray Fluorescence Spectroscopy
  9. Estimations of the isomer shifts for tetraoxoferrates
  10. Reactivity of 2,6-Dichloropurine Ribonucleoside Studied by 35Cl NQR Spectroscopy
  11. Using the Combined Approach of 35Cl NQR, 14N NQR and DFT Calculations To Study the 14N NQR Spectrum of Diazepam
  12. Theoretical analysis of reactions of electrophilic iodination and chlorination of benzene and polycyclic arenes in density functional theory approximation
  13. Comparative analysis of a full-electron basis set and pseudopotential for the iodine atom in DFT quantum-chemical calculations of iodine-containing compounds
  14. Ab initio study of the EFG at the N sites in imidazole
  15. Ab initio study of the EFG at the N sites in imidazole
  16. Quadrupole coupling constants and isomeric Mössbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds
  17. Quadrupole coupling constants and isomeric Mössbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds
  18. Studies of the electronic structure and biological activity of chosen 1,4-benzodiazepines by 35Cl NQR spectroscopy and DFT calculations
  19. N2CuF: A Complex of Dinitrogen and Cuprous Fluoride Characterized by Rotational Spectroscopy
  20. N2CuF: A Complex of Dinitrogen and Cuprous Fluoride Characterized by Rotational Spectroscopy
  21. Electronic structures and reactivities of iodinating agents in the gas phase and in solutions: A density functional study
  22. HFI and DFT study of the bonding in complexes of halogen and interhalogen diatomics with Lewis base
  23. DFT Study of HFI in Halogen-Containing Gold, Silver and Copper Complexes
  24. Energy analysis of the chemical bond in group IV and V complexes: A density functional theory study
  25. Halogenating and Nitrating Activity of Reagents Based on Sodium Nitrate and Alkali Metal Halides in Acetic Acid
  26. New Type of Prototropic Tautomerism Involving Carbon, Hydrogen, and Oxygen Atoms
  27. Electronic Effects of CF3Group in Polyfluorinated Toluenes: Infrared, Raman, and Ultraviolet Spectra
  28. Structure of the Paramagnetic Products of Thiocyanate Photolysis at 77 K
  29. The First Azaindatrane and Unprecedented Structural Features
  30. Density Functional Theory Studies of Bonding in Complexes H3N···XY of Ammonia and Dihalogen Molecules: A Comparison with Experimental Results from Rotational Spectroscopy
  31. Electronic structure of nitrogen-chlorine bonds in some compounds studied by NQR spectroscopy and DFT calculations
  32. Using density functional theory for analysis of quadrupole coupling constants and mössbauer isomer shifts of antimony compounds
  33. Using density functional theory for analysis of quadrupole coupling constants and mössbauer isomer shifts of halogen compounds
  34. Distinctive features of the electronic structure of tetrachloride titanium complexes
  35. Quadrupole coupling constants and isomeric Mössbauer shifts for inorganic compounds and complexes containing elements from period V calculated by ab initio methods
  36. Quadrupole Coupling Constants and Mössbauer Isomeric Shifts in Antimony Compounds within Gaussian 98
  37. Ligand effect on chlorine electron density distribution in titanium tetrachloride complexes
  38. Ligand effect on chlorine electron density distribution in titanium tetrachloride complexes
  39. Nuclear Quadrupole Resonance, Applications
  40. Nuclear Quadrupole Resonance, Applications*
  41. X-ray Emission Spectroscopy, Applications
  42. X-ray Emission Spectroscopy, Methods
  43. X-Ray Emission Spectroscopy, Applications*
  44. X-Ray Emission Spectroscopy, Methods*
  45. Antimonium pentachloride electron density redistribution on complexation
  46. Antimonium pentachloride electron density redistribution on complexation
  47. 19Cl NQR study of the fluorine effect of the aryl substituent on the element-chlorine bond in compounds of subgroup V and VI elements
  48. A study of electronic structure of SbCl5.L and SnCl4.L2 complexes by the PM3 method
  49. A study of electronic structure of SbCl5.L and SnCl4.L2 complexes by the PM3 method
  50. Study of charges on heteroatoms in organic compounds of the second-row elements by X-ray fluorescence spectroscopy
  51. Ab initio calculation of the nuclear quadrupole resonance parameters of the Sb2Cl10 molecule
  52. Investigation of chlorine valence electron density in SnCl4L2, SbCl5L and TiCl4L2 complexes
  53. Investigation of the electronic structure of 4-chlorophenylisoxazole and 4-chloroisoxazoline by NQR spectroscopy and quantum-chemical calculations
  54. Electronic structure analysis of 4-chlorophenylisoxazoles and 4-chloroisoxazolines by35Cl NQR spectra and quantum chemical calculations
  55. Electron density redistribution on complexation in non-transition element complexes
  56. X-ray spectral investigation of the redistribution of electron density during complexation
  57. X-ray investigation of electron density redistribution on complexation
  58. Investigation of the charge state of heteroatoms in organic compounds of third-row elements by x-ray fluorescence spectroscopy 11. Redistribution of electron density in simple phosphorus-containing molecules upon complexation with AlBr3
  59. Investigation of the charge state of heteroatoms in organic compounds of third-row elements by x-ray fluorescence spectroscopy 10. Correlations between values of the shifts of the k? lines of sulfur, phosphorus, and chlorine and the values of the effectiv
  60. X-ray fluorescent spectroscopy study of the charge state of heteroatoms in organic compounds of third row elements. 7. Thiocyanates and isothiocyanates
  61. X-ray fluorescent spectroscopy study of the charge state of heteroatoms in organic compounds of third row elements. 8. Tin chloride and its complexes
  62. X-ray fluorescent spectroscopy study of the charge state of heteroatoms in organic compounds of third row elements. 6. Realationship between SK? shifts and magnitudes of charges on the sulfur atoms, determined from quantum chemical calculations
  63. Redistribution of electron density in SnCl4 on complex formation
  64. The effects of fluorine substitution on the 35Cl NQR spectra of fluoroaromatic compounds containing element-chlorine bonds
  65. A comparative study of organic and nucleotide derivatives of phosphoric acid from the31P NMR spectra
  66. Calculation of the119Sn isomer shifts in complexes of tin tetrachloride with organic ligands
  67. The M�ssbauer effect and the dynamics of the atoms in the complex of tin tetrachloride with sulfur nitride
  68. Charge Transfer in Complexes of the Donor–Acceptor Type
  69. NQR study of hydrogen bonded trichloroacetic acid complexes
  70. Temperature dependence of the resonance absorption of? quanta in complexes of tin(IV) chloride with organic ligands
  71. NQR spectra of complexes of low-molecular acceptors with polymers
  72. Investigation of SbCl5-donor complexes with charge transfer by the NQR method
  73. Use of NQR and NGR methods to calculate the degree of charge transfer in stannic chloride complexes
  74. NQR spectra of complexes of antimony trichloride with ?-donors
  75. Analysis of the hyperfine interactions in the inorganic and coordination compounds by DFT calculations
  76. DFT Study of HFI in Halogen-Containing Gold, Silver and Copper Complexes