The ab initio Calculation of Nuclear Quadrupole Coupling Constants with Special Reference to ³³S

Articles in the same Issue

1. Titelei
2. Inhaltsverzeichnis
3. Preface
4. Probing the Electronic Structure of Y-Ba-Cu-O Superconductors by Copper NQR/NMR
5. NQR and NMR in High T_c Superconductors
6. Oxygen Diffusion in YBa₂Cu₃O_7–δ Studied via ¹³³Ba(EC)¹³³Cs Nuclear Quadrupole Interaction
7. Cu NQR Study in a High-Jc Superconductor YBa₂Cu₃O_6.1I_x
8. Cu-NQR Frequencies and Linewidths in High- T_c Superconductors
9. NQR Studies of the Structure of Glasses and Crystalline Compounds
10. ¹⁴N Quadrupole Interactions in Nitrogen-Containing Ceramics. Effects on ²⁹Si NMR Line Shapes and Structural Implications
11. Electric Field Gradient in Aluminium due to Vacancy and Muon
12. Nucleus-Carrier Interactions in the Group V Semimetals: Dependence on Temperature and Pressure
13. Cesium Iodometallates(III), Cs₃M₂I₉, with M = Rare Earth. A Structural Investigation by ¹²⁷I NQR
14. NQR and X-ray Studies of [N(CH₃)₄]₃M₂X₉ and (CH₃NH₃)₃M₂X₉ (M = Sb,Bi; X = Cl,Br)
15. Coordination of Ortho-Chlorines in Copper (I) and Silver (I) 2,6-Di- and 2,4,6-Trichlorophenolates
16. The Nuclear Quadrupole Interaction of ^199mHg-Cysteine and ^199mHg-tert-butyl-mercaptide
17. The ^111mCd Nuclear Quadrupole Interaction in CdCl₂ and its Monohydrate
18. ¹⁴N NQR in 1,10-Phenanthroline and Dicyano bis(1,10-phenanthroline)iron(III)*
19. ⁸¹Br and ¹²⁷ I NQR Studies of (CH₃NH₃)₂HgBr₄ and (CH₃NH₃)₂HgI₄
20. A^63,65Cu and ¹²⁷I Nuclear Quadrupole Resonance and X-Ray Crystallographic Study of a Low-Temperature Phase of the (2-picoline) Copper (I) Iodide Dimer
21. ⁷Li-Solid-State-NMR of [Li(N,N,N',N'-Tetramethylethylenediamine)] CLO₄ and [Li (N,N,N', N'-Tetramethylethylenediamine)₂] Al(CH₃)₄
22. An NQR Study of Tetrachloride Complexes of Group IVA Elements
23. ^63,65Cu and ^{79 81}Br NQR Studies of Thione Complexes of Cu(I) Halides
24. Bromine-79 NQR for uncoordinated Br^– ions in trans-[CoBr₂(en)₂][H₅O₂]Br₂
25. Electron Effects of Adduct Formation by some Metal Halides
26. NQR Studies of Organic Compounds Containing Tetra- or Pentacoordinated Atoms of Elements of Groups IVA and VIA
27. ³⁵Cl NQR Spectra of Organyl(chloroalkyl) Sulfides
28. Spatial Electron Density Distribution of Chlorine Atoms in Molecules of the Series Cl₂C = CXX'
29. Dioxin Precursors: NQR Studies of Group 1 and Related 2,6-Dichlorophenolate and 2,4,6-Trichlorophenolate Salts
30. ³⁵Cl NQR and Structural Studies of Chloroacetanilides C₆H₃Cl₂NHCOCH_3-xCl_x, 1 ≤ x ≤ 3
31. ⁷⁹Br and ¹²⁷I NQR of tert-Butylammonium Halides and Crystal Structure of (CH₃)₃CNH₃^⊕ Br^⊖
32. NQR and Crystal Structure of 4,5-Dichloroimidazole, C₃H₂N₂Cl₂
33. Theoretical Study of the Electric Field Gradient in Silver Iodide
34. The Nuclear Quadrupole Moments of the 20 First Elements: High-Precision Calculations on Atoms and Small Molecules
35. Ab initio Calculations of the Electric Field Gradients in Solids in Relation to the Charge Distribution
36. The ab initio Calculation of Nuclear Quadrupole Coupling Constants with Special Reference to ³³S
37. ¹⁴N NQR and the Molecular Charge Topology in Coordinated Ammonia
38. Milli-Kelvin NQR: A Study of the Praseodymium Trihalides
39. Electric Field Effect on ¹⁴N NQR in Ferroelectric Thiourea Single Crystals
40. Phase Transitions in Bis(4-chlorophenyl)sulfone as Studied by ³⁵Cl FT-NQR
41. NQR Study of the Pinning and Depinning of the Incommensurate Modulation Wave in the Presence of Impurities
42. ³⁵Cl NQR and Crystal Structure Studies of Salts of Chlorodifluoro- and Dichloroacetic Acid
43. High Pressure Studies of Tetrachloro-o-benzoquinone by NQR Spectroscopy
44. NQR Investigation of the Temperature-Induced Neutral-to-Ionic Phase Transition in the Mixed-Stack Charge-Transfer Complex TTF-CA
45. Chlorine-NQR Relaxation Near the Structural Transitions of Natural and Deuterated (NH₄)₂TeCl₆
46. Reorientational Motion of Trihalogenomethyl Groups in Organic Compounds as Studied by ³⁵Cl NQR and ¹⁹F NMR Spectroscopy
47. Chlorine Nuclear Quadrupole Relaxation and Cationic Motion in Trimethylsulfonium Hexachloroselenate(IV): [(CH₃)₃S]₂SeCl₆
48. Chlorine Nuclear Spin-Spin Relaxation Mechanism in Mg(H₂O)₆SnCl₆ as Studied by NQR and NMR Techniques
49. Uniaxial Reorientation of Octahedral Complex Anions Excited in Triethylammonium Hexachlorostannate (IV) Crystals
50. Reorientational Motion of Hydrogen Bonded Octahedral Complex Anions in Hydrazinium Hexachlorostannate(IV), (N₂H₅)₂SnCl₆, as Studied by ³⁵Cl NQR Spin-Lattice Relaxation Measurements
51. Reorientation of the CCl₃ Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed ³⁵Cl NQR and X-ray Study
52. ³⁵Cl NQR Relaxation in Chloral Cyclohexylhemiacetal
53. The ³⁵Cl NQR Temperature Dependence of Hexa- and Octachlorocyclophosphazene
54. NQR and Neutron Diffraction in Scheelites
55. Temperature dependence of the Spin-Lattice Relaxation Time of the ²³Na-NMR Line in NaNO₂
56. Sodium Ion Exchange in Na_1+xZr₂Si_xP_3-xO₁₂ as Studied by ²³Na Nutation NMR
57. Anomalous Temperature Dependence of the ⁹⁹Tc Quadrupole Coupling and Disordering of Cesium Positions in CsTcO₄
58. ³⁵Cl NQR and Molecular Motion in Solid C₆X₅Cl (X = H, F)
59. 2 D Methods in NQR Spectroscopy
60. Contribution of Microwave Fourier Transform Spectroscopy to the Investigation of Nuclear Quadrupole Coupling
61. Quadrupole Nutation NMR in Solids
62. NQR Imaging
63. Weak Complexes of Dinitrogen: An Approach to the ¹⁴N-Nuclear Quadrupole Coupling Constant of Free N₂
64. Detection of Quadrupole Interactions by Muon Level Crossing Resonance
65. Two-dimensional Exchange Spectroscopy Using Pure NQR
66. A Simple Model to Explain ¹⁹F-TDPAD Amplitude Characteristics
67. A Computer-controlled, Fully Automatic NMR/NQR Double Resonance Spectrometer
68. Zeeman NQR Studies on Polycrystals of Copper Compounds, Arsenic Compounds, and Chlorine Compounds
69. NQR Spin Echo in the Effective Fields of Multiple-Pulse Sequences
70. Zeeman Effect of Pure NQR in a Rotating Frame (CW and Pulsed Excitation)
71. Experimental Investigations of the Strong Off-Resonant Comb (SORC) Pulse Sequence in ¹⁴N NQR
72. ¹⁴N Fourier Transform Nuclear Quadrupole Resonance. Instrumentation: Measurements on Cyanuric Chloride
73. Two-dimensional Two-frequency NQR Spectroscopy
74. The Quasistationary States in Multipulse NQR
75. Recent Development of Nuclear Quadrupole Resonance Spectra Database