All Stories

  1. 5-Thiocyanato-2′-deoxyuridine as a possible radiosensitizer: electron-induced formation of uracil-C5-thiyl radical and its dimerization
  2. Irreversible electron attachment – a key to DNA damage by solvated electrons in aqueous solution
  3. An ESR and DFT study of hydration of the 2′-deoxyuridine-5-yl radical: a possible hydroxyl radical intermediate
  4. Electron-induced single strand break in the nucleotide of 5- and 6-bromouridine. A DFT study
  5. The radiosensitivity of 5- and 6-bromocytidine derivatives – electron induced DNA degradation
  6. Artificial Plasmid Labeled with 5-Bromo-2′-deoxyuridine: A Universal Molecular System for Strand Break Detection
  7. Photoinduced Single Strand Breaks and Intrastrand Cross-Links in an Oligonucleotide Labeled with 5-Bromouracil
  8. A first-principles study of electron attachment to the fully hydrated bromonucleobases
  9. Electron induced single strand break and cyclization: a DFT study on the radiosensitization mechanism of the nucleotide of 8-bromoguanine
  10. DHPLC and MS studies of a photoinduced intrastrand cross-link in DNA labeled with 5-bromo-2′-deoxyuridine
  11. Valence Anions of DNA-Related Systems in the Gas Phase: Computational and Anion Photoelectron Spectroscopy Studies
  12. UV-Induced Strand Breaks in Double-Stranded DNA Labeled with 5-Bromouracil: Frank or Secondary?
  13. How to Find Out Whether a 5-Substituted Uracil Could Be a Potential DNA Radiosensitizer
  14. Photoelectron spectroscopic and density functional theoretical studies of the 2′-deoxycytidine homodimer radical anion
  15. Electron-Induced Degradation of 8-Bromo-2′-deoxyadenosine 3′,5′-Diphosphate, a DNA Radiosensitizing Nucleotide
  16. Presolvated Low Energy Electron Attachment to Peptide Methyl Esters in Aqueous Solution: C–O Bond Cleavage at 77 K
  17. Photoelectron Spectroscopy and Computational Modeling of Thymidine Homodimer Anions
  18. Photoelectron spectroscopy and density functional theory studies on the uridine homodimer radical anions
  19. Fundamental Mechanisms of DNA Radiosensitization: Damage Induced by Low-Energy Electrons in Brominated Oligonucleotide Trimers
  20. Electron-Induced Elimination of the Bromide Anion from Brominated Nucleobases. A Computational Study
  21. Electron stimulated desorption of anions from native and brominated single stranded oligonucleotide trimers
  22. Radicals Formed in N -Acetylproline by Electron Attachment: Electron Spin Resonance Spectroscopy and Computational Studies
  23. PCR synthesis of double stranded DNA labeled with 5-bromouridine. A step towards finding a bromonucleoside for clinical trials
  24. Valence anions of N-acetylproline in the gas phase: Computational and anion photoelectron spectroscopic studies
  25. Local Excitation of the 5-Bromouracil Chromophore in DNA. Computational and UV Spectroscopic Studies
  26. Single Strand Break in DNA Coupled to the O—P Bond Cleavage. A Computational Study
  27. Photoelectron spectroscopic studies of 5-halouracil anions
  28. Theoretical studies on interactions between low energy electrons and protein–DNA fragments: valence anions of AT-amino acids side chain complexes
  29. Enzymatic synthesis of long double-stranded DNA labeled with haloderivatives of nucleobases in a precisely pre-determined sequence
  30. Unexpected Photoproduct Generated via the Acetone-Sensitized Photolysis of 5-Bromo-2′-deoxyuridine in a Water/Isopropanol Solution: Experimental and Computational Studies
  31. The Anionic (9-Methyladenine)−(1-Methylthymine) Base Pair Solvated by Formic Acid. A Computational and Photoelectron Spectroscopy Study
  32. Barrier-free proton transfer induced by electron attachment to the complexes between 1‐methylcytosine and formic acid
  33. Low-Energy-Barrier Proton Transfer Induced by Electron Attachment to the Guanine⋅⋅⋅Cytosine Base Pair
  34. Stability of the valence anion of cytosine is governed by nucleobases sequence in the double stranded DNA π-stack: A computational study
  35. Benign Decay vs. Photolysis in the Photophysics and Photochemistry of 5-Bromouracil. A Computational Study
  36. Valence Anions of 9-Methylguanine−1-Methylcytosine Complexes. Computational and Photoelectron Spectroscopy Studies
  37. Valence Anions of 9-Methylguanine−1-Methylcytosine Complexes. Computational and Photoelectron Spectroscopy Studies
  38. Valence Anion of Thymine in the DNA π-Stack
  39. Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?
  40. Barrier-free proton transfer in the valence anion of 2′-deoxyadenosine-5′-monophosphate. II. A computational study
  41. Stable Valence Anions of Nucleic Acid Bases and DNA Strand Breaks Induced by Low Energy Electrons
  42. Intermolecular proton transfer induced by excess electron attachment to adenine(formic acid)n (n=2, 3) hydrogen-bonded complexes
  43. Photoelectron spectroscopy of adiabatically bound valence anions of rare tautomers of the nucleic acid bases
  44. Findings on the Electron-Attachment-Induced Abasic Site in a DNA Double Helix
  45. Findings on the Electron-Attachment-Induced Abasic Site in a DNA Double Helix
  46. Valence Anions in Complexes of Adenine and 9-Methyladenine with Formic Acid:  Stabilization by Intermolecular Proton Transfer
  47. Can an excess electron localize on a purine moiety in the adenine-thymine Watson-Crick base pair? A computational study
  48. On the Unusual Stability of Valence Anions of Thymine Based on Very Rare Tautomers:  A Computational Study
  49. Effects of intra base-pairs flexibility on hole transfer coupling in DNA
  50. Effect of proton transfer on the electronic coupling in DNA
  51. TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides
  52. TG-FTIR, DSC, and Quantum-Chemical Studies on the Thermal Decomposition of Quaternary Ethylammonium Halides
  53. Stabilization of Very Rare Tautomers of 1-Methylcytosine by an Excess Electron †
  54. Intermolecular Proton Transfer in Anionic Complexes of Uracil with Alcohols
  55. NMR and DFT investigations of the substituent and solvent effect on amino-imino tautomerism in acridin-9-amines substituted at the exocyclic nitrogen atom
  56. Anion of the formic acid dimer as a model for intermolecular proton transfer induced by a π* excess electron
  57. AT Base Pair Anions versus (9-Methyl-A)(1-Methyl-T) Base Pair Anions
  58. Interaction with Glycine Increases Stability of a Mutagenic Tautomer of Uracil. A Density Functional Theory Study
  59. Stabilization of very rare tautomers of uracil by an excess electron
  60. Effect of Hydrogen Bonding on Barrier-Free Proton Transfer in Anionic Complexes of Uracil with Weak Acids: (U…HCN)−versus (U…H2S)−
  61. Excess Electron Attachment Induces Barrier-Free Proton Transfer in Anionic Complexes of Thymine and Uracil with Formic Acid
  62. Barrier-free intermolecular proton transfer induced by excess electron attachment to the complex of alanine with uracil
  63. Barrier-free proton transfer in anionic complex of thymine with glycine
  64. The origin of luminescence accompanying electrochemical reduction or chemical decomposition of peroxydisulfates
  65. Excess Electron Attachment Induces Barrier-Free Proton Transfer in Binary Complexes of Uracil with H2Se and H2S but Not with H2O
  66. Consequences of proton transfer in guanidine
  67. The Effect of Pyrimidine Bases on the Hole-Transfer Coupling in DNA †
  68. Computational Study of Hydrogen-Bonded Complexes between the Most Stable Tautomers of Glycine and Uracil
  69. Dipole-bound and dispersion-bound anions supported by the asymmetric tautomers of aminophosphine: H3NPH and HNPH3
  70. Structure, Properties, Thermodynamics, and Isomerization Ability of 9-Acridinones
  71. Is 9-acridinamine anion a dispersion-bound anion?
  72. Infrared and Raman spectroscopy of 9-acridinones
  73. Low-Energy Tautomers and Conformers of Neutral and Protonated Arginine
  74. Quasidegeneracy of Zwitterionic and Canonical Tautomers of Arginine Solvated by an Excess Electron
  75. Anab initiostudy of the betaine anion–dipole-bound anionic state of a model zwitterion system
  76. Anab initiostudy of (H3B←NH3)−—a dipole-bound anion supported by the dative charge-transfer bond in the neutral host
  77. Energetics of the splitting of pyrimidine photodimers induced by electron transfer to rhodium(III) complexes. A quantum chemical study
  78. A cyclic intermediate of the splitting reaction of cyclobutane-type pyrimidine dimer cation radicals. A computational finding as challenge for experimental techniques
  79. Effect of Proton Transfer on the Anionic and Cationic Pathways of Pyrimidine Photodimer Cleavage. A Computational Study
  80. Toward an Understanding of the Chemiluminescence Accompanying the Reaction of 9-Carboxy-10-methylacridinium Phenyl Ester with Hydrogen Peroxide
  81. IR–Raman, NMR and density functional methods in the examination of tautomerism and features of N-methyl substituted 9-acridinamine derivatives
  82. Splitting of Cyclobutane-Type Uracil Dimer Cation Radicals. Hartree−Fock, MP2, and Density Functional Studies
  83. X-Ray, Quantum Mechanics and Density Functional Methods in the Examination of Structure and Tautomerism of N-Methyl-Substituted Acridin-9-amine Derivatives
  84. The effect of two- and three-body interactions in ArnCO2 (n=1,2) on the asymmetric stretching CO2 coordinate: An ab initio study
  85. Interaction of the Chlorine Atom with Water:  ESR and ab Initio MO Evidence for Three-Electron ( σ 2 σ* 1 ) Bonding
  86. Origins and modeling of many-body exchange effects in van der Waals clusters
  87. Theoretical Studies on the Effect of the Medium on Tautomeric Phenomena in Neutral and Protonated Acridin-9-amine. Mechanism of Tautomerization in Neutral Entities
  88. Hartree−Fock and Density Functional Methods and IR and NMR Spectroscopies in the Examination of Tautomerism and Features of Neutral 9-Acridinamine in Gaseous and Condensed Media
  89. Crystal Structure of 9(10-Methyl)- Acridinimine Hydriodide. Lattice Energetics of this Compound and Halide Salts of Nitrogen Organic Bases
  90. The Transformation Mechanism of 3,4,6-Tri- O -acetyl-1,5-anhydro-2-deoxy- d - arabino -hex-1-enitol in Water
  91. Properties of Closed-Shell, Octahedral, Multiply-Charged Hexafluorometallates MF 6 3- , M = Sc, Y, La, ZrF 6 2- , and TaF 6 -
  92. Thermal features and thermochemistry of hexachlorozirconates of aliphatic and aromatic mono-amines—stability of hexahalogenozirconates
  93. Theoretical Studies on the Structure, Stability, Ability To Undergo Internal Transformations, and Tautomerization, as Well as Reactivity, of H2PPH2 and HPPH3 Molecules
  94. CGC, MS and theoretical studies on the transformation mechanism of 3,4-di-O-acetyl-1,5-anhydro-2-deoxy-D-threo-pent-1-enitol in aqueous solutions
  95. Theoretical Studies on the Structure, Thermochemistry, Vibrational Spectroscopy, and Other Features of HfX62- (X = F, Cl, Br, I). Electrostatic Energy in Hexahalogenohafnates
  96. Thermochemistry, lattice energetics and stability of hexahalogenohafnates
  97. Theoretical Studies on the Geometry, Thermochemistry, Vibrational Spectroscopy, and Charge Distribution in TiX62- (X = F, Cl, Br, I). Coulombic Energy in hexahalogenotitanate Lattices
  98. Theoretical studies on structure, thermochemistry, vibrational spectroscopy, and other features of ZrX2−6(X=F,Cl,Br,I): Coulombic energy in inorganic and organic hexahalogenozirconates
  99. Thermal behaviour and thermochemistry of hexachlorozirconates of mononitrogen aromatic bases
  100. Studies on nitracrine and its nitro isomers devoted to tautomeric phenomena, structural and physicochemical features, as well as surrounding electrostatic potential
  101. Theoretical studies on the prototropic tautomerism, structure, and features of acridine and 9-acridinamine free bases and their protonated forms
  102. Absorption and luminescence spectroscopic analysis of tautomeric forms of protonatedN,N-dimethyl-N?-(1-nitro-9-acridinyl)-1,3-propanediamine (nitracrine) and its nitro isomers in poly(vinyl alcohol) films
  103. Attempted synthesis of esters of tricarballylic acid and 3,5-dibromosalicylic acid. Structure and properties of tricarballylic acid, its anhydrides and some of their derivatives, and an investigation of the reaction pathways of anhydride formation by
  104. Thermal properties, crystal lattice energy, mechanism and energetics of the thermal decomposition of hydrochlorides of 2-amino acid esters
  105. Prototropic tautomerism in N,N-dimethyl-N′-(1-nitro-9-acridyl)propane-1,3-diamine and its nitro isomers. Application of MNDO and PPP methods for the examination of structure and electronic absorption spectra
  106. Theoretical Approach in Explanation of Energy Donor Properties of 1,4-Dioxane and 1,4-Dioxane-Water Complexes