All Stories

  1. Supramolecular assembly governed by tetrel, CN⋅⋅⋅π and other weak noncovalent interactions in two acrylonitrile derivatives with D-π-A topology: Crystallography, optical properties and theoretical studies
  2. Positional Isomers and Non-Covalent interactions of Acrylonitrile-Methylpyridinium Iodide Salts: Combined experimental and Quantum Chemical Calculations Investigations
  3. Crystal structure and Hirshfeld surface analysis of 6,6′-dimethyl-2,2′-bipyridine-1,1′-diium tetrachloridocobaltate(II)
  4. Color properties and non-covalent interactions in hydrated (Z)-4-(1-cyano-2-(2,4,5-trimethoxyphenyl)-vinyl)pyridin-1-ium chloride salt: Insights from experimental and theoretical studies
  5. Synthesis, crystal structure, Hirshfeld surface analysis, and DFT studies of 2-bromo-4,6-bis(dibromoacetyl)resorcinol
  6. Weak noncovalent interactions in two positional isomers of acrylonitrile derivatives: inputs from PIXEL energy, Hirshfeld surface and QTAIM analyses
  7. Structural and quantitative analysis of intermolecular solid-state interactions in cocrystals obtained from nucleobases and methylxanthines with gallic acid
  8. Non-covalent interactions towards 2-(4-(2,2-dicyanovinyl) benzylidene)malononitrile packing polymorphism due to solvent effect. Experimental and theoretical spectroscopy approach
  9. Crystal structure of 4-(2-methoxyphenyl)piperazin-1-ium 3,5-dintrosalicylate
  10. Crystal structure and Hirshfeld surface analysis of the hydrated 2:1 adduct of piperazine-1,4-diium 3,5-dinitro-2-oxidobenzoate and piperazine
  11. Intramolecular resonance assisted N–H⋅⋅⋅O=C hydrogen bond and weak noncovalent interactions in two asymmetrically substituted geminal amido-esters: Crystal structures and quantum chemical exploration
  12. Solution and Solid-State Photophysical Properties of Positional Isomeric Acrylonitrile Derivatives with Core Pyridine and Phenyl Moieties: Experimental and DFT Studies
  13. Crystal Packing Modulation of the Strength of Resonance-Assisted Hydrogen Bonds and the Role of Resonance-Assisted Pseudoring Stacking in Geminal Amido Esters: Study Based on Crystallography and Theoretical Calculations
  14. Novel lanthanide(III) complex [LaL2(NO3) (H2O)2]·5H2O with 2-pyridine carboxaldehyde isonicotinoyl hydrazine exhibiting a 3D supramolecular topology 3,6T49
  15. Insights from QM/MM-ONIOM, PIXEL, NBO and DFT calculations: The molecular conformational origins for optical properties on (Z)-2-phenyl-3-(4-(pyridin-2-yl)-phenyl) acrylonitrile polymorphs
  16. 1 H‐NMR, Photophysical, and pH Studies of 4‐(4,5‐Diphenyl‐1 H ‐imidazol‐2‐yl)benzaldehyde through Experimental and DFT Theoretical Analysis
  17. Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: a combin...
  18. Experimental study and DFT calculation for the strength of intermolecular interactions in Schiff base with the phenylarsonic acid scaffold
  19. A quantitative study of weak noncovalent interactions in two pyridine isomers containing nitrile and thiophene moieties: a combined X-ray and theoretical investigation
  20. Preferential Orientation of Crystals and its Influence on the Emission Wavelength of Acrylonitrile Derivatives Treated with Polar Solvents
  21. Experimental and Theoretical Insights into the Optical Properties and Intermolecular Interactions in Push‐Pull Bromide Salts
  22. A low molecular weight OLED material: 2-(4-((2-hydroxyethyl)(methyl)amino)benzylidene)malononitrile. Synthesis, crystal structure, thin film morphology, spectroscopic characterization and DFT calculations
  23. Film morphology of acrylonitrile materials deposited by a solution process and vacuum evaporation. Supramolecular interactions, optoelectronic properties and an approximation by computational calculations
  24. Solvatochromism and pH effect on the emission of a triphenylimidazole-phenylacrylonitrile derivative: experimental and DFT studies
  25. Multiple Photoluminescence from Pyrene‐Fused Hexaarylbenzenes with Aggregation‐Enhanced Emission Features
  26. Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles
  27. Two Different Emissions of (2Z)-2-(4-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile Due to Crystal Habit and Size: Synthesis, Optical, and Supramolecular Characterization
  28. Ethyl 6-(4-chlorophenyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-5-carboxylate
  29. Relating the Structure of Geminal Amido Esters to their Molecular Hyperpolarizability
  30. Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate
  31. Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate: a new polymorph of L-dopa HCl and isotypic with its bromide counterpart
  32. Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromoethyl)indoline-2,3-dione
  33. Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate
  34. Structural investigation of (2E)-2-(ethoxycarbonyl)-3-[(4-methoxyphenyl)amino]prop-2-enoic acid: X-ray crystal structure, spectroscopy and DFT
  35. 1-Benzyl-5-methylindoline-2,3-dione
  36. Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid
  37. Non-classical C-H...O hydrogen bonds stabilizing the structures of isatin derivatives
  38. Crystallography and computational electronic structure investigations on 14-(3, 4, 5-trimethoxyphenyl)-14H-dibenzo[a,j]xanthene
  39. Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses
  40. Crystal structure of 3-amino-1-propylpyridinium bromide
  41. 1-Allyl-2-aminopyridin-1-ium bromide
  42. 1-Alkyl-(N,N-dimethylamino)pyridinium bromides: inhibitory effect on virulence factors of Candida albicans and on the growth of bacterial pathogens
  43. Electrochemical degradation of methyl parathion
  44. Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates
  45. 1-(Benzyloxy)naphthalene
  46. Synthesis, characterization and antimicrobial activity of 4-amino-1-alkyl pyridinium salts
  47. Removal of Fatty Acids from Palm Oil Effluent by Combined Electro-Fenton and Biological Oxidation Process
  48. Removal of pharmaceuticals from wastewater by electrochemical oxidation using cylindrical flow reactor and optimization of treatment conditions
  49. 1-Allyl-4-aminopyridinium bromide
  50. 2-Amino-(1-methylphenyl)pyridinium bromide
  51. 4-Amino-(1-carboxymethyl)pyridinium chloride
  52. 4-Amino-(1-ethoxycarbonylmethyl)pyridinium iodide
  53. 4-Amino-(1-methylphenyl)pyridinium bromide
  54. 4-Amino-1-(4-nitrobenzyl)pyridinium bromide
  55. 3-Amino-1-(4-nitrobenzyl)pyridinium bromide
  56. 2-Amino-1-(4-nitrobenzyl)pyridinium bromide