All Stories

  1. Structural distortions and lone pair activity in SnSe: A charge density analysis of the phase transition
  2. Crystal growth of Piperazine and a dual approach to electron density mapping and bonding insights
  3. Structure, charge density, and Hirshfeld surface analysis of proton transfer complex 2‐amino‐4‐methylpyridinium 2‐(3‐methylphenyl)‐acetate
  4. Three dimensional atomistic-scale electron density distribution analysis of ZnWO4: Sm phosphors
  5. Charge density of difluorides from synchrotron diffraction data and investigation of bonding in low valent binary fluorides
  6. Hirshfeld surface, charge density and site selectivity studies of 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)-acetone
  7. A theoretical study of chemical bonding and topological and electrostatic properties of the anti-leprosy drug dapsone
  8. Aceclofenac and interactions analysis in the crystal and COX protein active site
  9. Experimental validation of bifurcated hydrogen bond of 2,5-lutidinium bromanilate and its charge density distribution
  10. Comprehensive study on the topological properties of 5-Amino-2-Methyl Benzene Sulfonamide involving inter and intra molecular hydrogen bonds
  11. X-ray derived experimental charge density distribution in two isostructural oxyfluorotellurates, FeTeO3F and GaTeO3F
  12. Origin of ferroelectricity in orthorhombic LuFeO3
  13. Analysis of oxygen bonding with metals of different oxidation states from experimental charge density distribution
  14. Photoluminescence study of (Sm0.95 Ce0.05)2O3 nanoparticles for LED applications
  15. Enhanced photoluminescence and charge density studies of novel (Sm1−x Gdx)2O3 nanophosphors for WLED applications
  16. A novel synthesis of orange-red emitting (Sm1−xCex)2O3nanophosphors for UV LEDs
  17. Investigation of topological and electrostatic properties of anti-inflammatory drug aceclofenac
  18. Understanding electronic and magnetic transitions in ball milled diluted magnetic semiconductor Si1-xNix through experimental electron density distribution
  19. Experimental charge density distribution and its correlation to structural and optical properties of Sm 3+ doped Nd 2 O 3 nanophosphors
  20. Crystal structures of 2-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate and bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate
  21. Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculations
  22. 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate
  23. 2-Amino-3-methylpyridinium hydrogen phthalate
  24. High Resolution Synchrotron Diffraction Study on Charge Density Distribution of Ampicillin Trihydrate
  25. Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent
  26. Information reconciliation schemes in physical-layer security: A survey
  27. Investigation of the van der Waals epitaxy gap in isostructural semiconducting germanium tellurides: HfGeTe 4 and ZrGeTe 4
  28. 2-Amino-4-methylpyridin-1-ium 2-(4-nitrophenyl)acetate
  29. 2-Amino-4-methylpyridinium 2-hydroxybenzoate
  30. 2-Amino-4-methylpyridinium 4-hydroxybenzoate
  31. 2-Amino-4-methylpyridinium 4-methylbenzoate
  32. X-ray derived experimental charge density distribution in GaF3 and VF3 solid systems
  33. 2-Amino-3-methylpyridinium 3,4-dimethoxybenzoate
  34. 2-Amino-4-methylpyridinium 2-(4-nitrophenyl)acetate
  35. Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate
  36. 2-Amino-3-methylpyridinium 4-methoxybenzoate
  37. 2-Methylpyridinium 2-carboxy-6-nitrobenzoate
  38. 2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate
  39. 3-Methylpyridinium 4-nitrobenzoate–4-nitrobenzoic acid (1/1)
  40. 2-Amino-6-methylpyridinium 2-hydroxybenzoate
  41. Picoline series
  42. Structure and stability of a silicon cluster on sequential doping with carbon atoms
  43. Structural, magnetic and charge-related properties of nano-sized cerium manganese oxide, a dilute magnetic oxide semiconductor
  44. Analysis on insulator–metal transition in yttrium doped LSMO from electron density distribution
  45. The analysis on the rearrangement of charge density distribution in response to magnetic behavior in Mn doped SnO2 nanoparticles
  46. Localized ferromagnetic charge ordering through charge density analysis in nano sized diluted magnetic semiconductor Co2+:ZnO
  47. Analysis on experimental valence charge density in germanium at RT and 200K
  48. Growth of novel-diluted magnetic semiconducting material Ge1−xMnx and X-ray characterization by the maximum entropy method (MEM) and pair distribution function (PDF)
  49. Electron density distribution in Si and Ge using multipole, maximum entropy method and pair distribution function analysis
  50. Electron density distribution and bonding in ZnSe and PbSe using maximum entropy method (MEM)
  51. Probabilistic electron density distribution in CdTe at RT and 200K
  52. Bonding in ZnTe at RT, 200 and 100K revealed by entropy maximized electron density distribution
  53. Bonding in fluorite compound CaF2 using MEM
  54. Electronic structure of InP at RT, 200 and 100K
  55. An investigation on the bonding in MgO, CaO, SrO and BaO from the MEM electron density distributions
  56. High resolution electron density mapping for LiF and NaF by maximum entropy method (MEM)
  57. Electronic charge distribution in the intermetallic compound MnHg
  58. X-ray structure of barium titanate – missed opportunities
  59. Charge transfer in GaP and InP
  60. Charge Transfer in ZnSe
  61. Debye‐Waller Factors in NaxC60
  62. f″ of silicon from linear absorption measurements