All Stories

  1. Ferromagnetically-coupled Ni(II) and Co(II) Tetranuclear Cubane Complexes with a Ligand of New Type - Sulfonyl Analogue of β-Diketonates

    Article • Current Inorganic Chemistry, March 2018, Bentham Science Publishers

    Oleg Shishkin, Dr Svitlana V. Shishkina

  2. Investigation of topology of intermolecular interactions in the benzene–acetylene co-crystal by different theoretical methods

    Article • Structural Chemistry, May 2014, Springer Science + Business Media

    Oleg Shishkin

  3. Quantum delocalization of benzene in the ring puckering coordinates

    Article • International Journal of Quantum Chemistry, January 2014, Wiley

    Oleg Shishkin

  4. How molecular crystals are organized.

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Oleg Shishkin, Viktoriya Dyakonenko

  5. Tuning of character of the N–O bond in HONO from covalent to protocovalent by different types of intramolecular interactions

    Article • The Journal of Chemical Physics, September 2013, American Institute of Physics

    Oleg Shishkin

  6. Nucleic Acid Bases in Anionic 2′-Deoxyribonucleotides: A DFT/B3LYP Study of Structures, Relative Stability, and Proton Affinities

    Article • The Journal of Physical Chemistry B, March 2013, American Chemical Society (ACS)

    Oleg Shishkin, Professor Jerzy Leszczynski

  7. Supramolecular architecture of molecular crystals possessing shearing mechanical properties: columns versus layers

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Oleg Shishkin

  8. Conjugation vs hyperconjugation in molecular structure of acrolein

    Article • Chemical Physics Letters, January 2013, Elsevier

    Oleg Shishkin

  9. Entropy versus aromaticity in the conformational dynamics of aromatic rings

    Article • Journal of Molecular Modeling, November 2012, Springer Science + Business Media

    Oleg Shishkin, Professor Jerzy Leszczynski

  10. Influence of Deuteration and Fluorination on the Supramolecular Architecture of Pyridine N‐Oxide Crystals

    Article • ChemPhysChem, October 2012, Wiley

    Oleg Shishkin

  11. Substituent effects and aromaticity of six-membered heterocycles

    Article • Structural Chemistry, September 2012, Springer Science + Business Media

    Oleg Shishkin, Professor Jerzy Leszczynski

  12. Estimating stacking interaction energy using atom in molecules properties: Homodimers of benzene and pyridine

    Article • International Journal of Quantum Chemistry, June 2012, Wiley

    Oleg Shishkin

  13. Properties, aromaticity, and substituents effects in poly nitro- and amino-substituted benzenes

    Article • Structural Chemistry, February 2012, Springer Science + Business Media

    Oleg Shishkin, Professor Jerzy Leszczynski

  14. Crystal Structures of Fluorinated Pyridines from Geometrical and Energetic Perspectives

    Article • Crystal Growth & Design, January 2012, American Chemical Society (ACS)

    Oleg Shishkin

  15. Supramolecular architecture of crystals of fused hydrocarbons based on topology of intermolecular interactions

    Article • CrystEngComm, January 2012, Royal Society of Chemistry

    Oleg Shishkin, Viktoriya Dyakonenko

  16. Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform

    Article • CrystEngComm, January 2012, Royal Society of Chemistry

    Oleg Shishkin

  17. Environment-induced stabilization of hydrogen-bonded dimers in crystal of lysine (5-methyl-1H-[1,2,4]triazol-3ylsulfanyl)-acetate

    Article • Structural Chemistry, October 2011, Springer Science + Business Media

    Oleg Shishkin

  18. The C–Cl⋯π interactions inside supramolecular nanotubes of hexaethynylhexamethoxy[6]pericyclyne

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Oleg Shishkin, Viktoriya Dyakonenko

  19. Unusual Properties of Usual Molecules. Conformational Analysis of Cyclohexene, Its Derivatives and Heterocyclic Analogues

    Article • January 2011, Springer Science + Business Media

    Oleg Shishkin

  20. Columnar supramolecular architecture of crystals of 2-(4-Iodophenyl)-1,10-phenanthroline derived from values of intermolecular interaction energy

    Article • CrystEngComm, January 2011, Royal Society of Chemistry

    Oleg Shishkin, Viktoriya Dyakonenko

  21. Intramolecular S···O chalcogen bond in thioindirubin

    Article • Structural Chemistry, June 2010, Springer Science + Business Media

    Oleg Shishkin

  22. Rotation around the glycosidic bond as driving force of proton transfer in protonated 2′-deoxyriboadenosine monophosphate (dAMP)

    Article • Chemical Physics Letters, April 2010, Elsevier

    Oleg Shishkin

  23. Hydration of nucleic acid bases: a Car–Parrinello molecular dynamics approach

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Oleg Shishkin, Professor Jerzy Leszczynski, Dr Olexandr Isayev

  24. New insight on structural properties of hydrated nucleic acid bases from ab initio molecular dynamics

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Oleg Shishkin, Professor Jerzy Leszczynski, Dr Olexandr Isayev

  25. Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions

    Article • CrystEngComm, January 2010, Royal Society of Chemistry

    Oleg Shishkin

  26. Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy

    Article • CrystEngComm, January 2010, Royal Society of Chemistry

    Oleg Shishkin, Viktoriya Dyakonenko

  27. Conformational flexibility of pyrimidine rings of nucleic acid bases in polar environment: PCM study

    Article • Structural Chemistry, June 2009, Springer Science + Business Media

    Oleg Shishkin, Professor Jerzy Leszczynski

  28. Novel type of mixed O–H···N/O–H···π hydrogen bonds: monohydrate of pyridine

    Article • Structural Chemistry, January 2009, Springer Science + Business Media

    Oleg Shishkin, Professor Jerzy Leszczynski

  29. Conformational Flexibility of Pyrimidine Ring in Nucleic Acid Bases

    Article • January 2009, Springer Science + Business Media

    Oleg Shishkin, Professor Jerzy Leszczynski

  30. Unexpected 3:2 stoichiometry and structure of 15-crown-5 complex with lithium chlorochromate

    Article • Structural Chemistry, November 2008, Springer Science + Business Media

    Oleg Shishkin

  31. Evaluation of true energy of halogen bonding in the crystals of halogen derivatives of trityl alcohol

    Article • Chemical Physics Letters, June 2008, Elsevier

    Oleg Shishkin

  32. Crystal, molecular structure and tautomerism of (5-methyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid

    Article • Structural Chemistry, March 2008, Springer Science + Business Media

    Oleg Shishkin

  33. Opposite charges assisted extra strong C–H⋯O hydrogen bond in protonated 2′-deoxyadenosine monophosphate

    Article • Chemical Physics Letters, February 2008, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski

  34. OH–π and halogen–π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols

    Article • CrystEngComm, January 2008, Royal Society of Chemistry

    Oleg Shishkin

  35. Structure and hydrogen bonding in polyhydrated complexes of guanine

    Article • Structural Chemistry, December 2007, Springer Science + Business Media

    Oleg Shishkin, Professor Jerzy Leszczynski

  36. Molecular and crystal structure of crown ethers containing biphenyl fragment

    Article • Journal of Molecular Structure, April 2007, Elsevier

    Oleg Shishkin

  37. Are Isolated Nucleic Acid Bases Really Planar? A Car−Parrinello Molecular Dynamics Study

    Article • The Journal of Physical Chemistry B, March 2007, American Chemical Society (ACS)

    Oleg Shishkin, Professor Jerzy Leszczynski, Dr Olexandr Isayev

  38. Aromaticity of monosubstituted derivatives of benzene. The application of out-of-plane ring deformation energy for a quantitative description of aromaticity

    Article • Journal of Molecular Structure, June 2006, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski

  39. Electron density distribution in stacked benzene dimers: A new approach towards the estimation of stacking interaction energies

    Article • The Journal of Chemical Physics, April 2005, American Institute of Physics

    Oleg Shishkin, Professor Jerzy Leszczynski

  40. Charges of Phosphate Groups. A Role in Stabilization of 2′-deoxyribonucleotides. A DFT Investigation

    Article • Journal of Biomolecular Structure and Dynamics, February 2005, Taylor & Francis

    Oleg Shishkin, Professor Jerzy Leszczynski

  41. Conformational Analysis of Canonical 2-Deoxyribonucleotides. 2. Purine Nucleotides

    Article • Journal of Biomolecular Structure and Dynamics, October 2004, Taylor & Francis

    Oleg Shishkin, Professor Jerzy Leszczynski

  42. Out-of-plane deformability of aromatic systems in naphthalene, anthracene and phenanthrene

    Article • Journal of Molecular Structure, May 2004, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski

  43. Conformational Analysis of Canonical 2-Deoxyribonucleotides. 1. Pyrimidine Nucleotides

    Article • Journal of Biomolecular Structure and Dynamics, February 2004, Taylor & Francis

    Oleg Shishkin, Professor Jerzy Leszczynski

  44. Structure of Stacked Dimers of N-Methylated Watson–Crick Adenine–Thymine Base Pairs

    Article • International Journal of Molecular Sciences, September 2003, MDPI AG

    Oleg Shishkin

  45. Molecular Structure and Hydrogen Bonding in Polyhydrated Complexes of Adenine:  A DFT Study

    Article • The Journal of Physical Chemistry B, February 2003, American Chemical Society (ACS)

    Oleg Shishkin, Professor Jerzy Leszczynski

  46. Structural non-rigidity of six-membered aromatic rings

    Article • Journal of Molecular Structure, October 2002, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski

  47. The interaction of the most stable guanine tautomers with water. The structure and properties of monohydratesElectronic supplementary information (ESI) available: Geometries of a guanine moiety in isolated molecules and monohydrates of the Gua9, Gua7 a...

    Article • Physical Chemistry Chemical Physics, September 2002, Royal Society of Chemistry

    Oleg Shishkin, Professor Jerzy Leszczynski

  48. X-ray Diffraction and Ab Initio Quantum-Chemical Study of the Charge Density in the Crystals of Meisenheimer ComplexesDerivatives of 2,4,6-Trinitrobenzene and 5,7-Dinitroquinoline

    Article • The Journal of Physical Chemistry A, August 2002, American Chemical Society (ACS)

    Oleg Shishkin

  49. Interactions of Water with Mono- and Diamino Derivatives ofN,N‘-Dimethyluracil

    Article • The Journal of Physical Chemistry A, August 2002, American Chemical Society (ACS)

    Oleg Shishkin, Professor Jerzy Leszczynski

  50. Three-stage character of ring inversion in cyclohexene

    Article • Chemical Physics Letters, March 2002, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski

  51. Conformational flexibility of pyrimidine ring in adenine and related compounds

    Article • Chemical Physics Letters, November 2000, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski

  52. A density functional theory study of vibrational coupling between ribose and base rings of nucleic acids with ribosyl guanosine as a model system

    Article • The Journal of Chemical Physics, October 2000, American Institute of Physics

    Oleg Shishkin, Professor Jerzy Leszczynski

  53. Theoretical analysis of low-lying vibrational modes of free canonical 2-deoxyribonucleosides

    Article • Chemical Physics, October 2000, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun

  54. Does the Hydrated Cytosine Molecule Retain the Canonical Structure? A DFT Study

    Article • The Journal of Physical Chemistry B, May 2000, American Chemical Society (ACS)

    Oleg Shishkin, Professor Jerzy Leszczynski

  55. Modeling of the Hydration Shell of Uracil and Thymine

    Article • International Journal of Molecular Sciences, March 2000, MDPI AG

    Oleg Shishkin, Professor Jerzy Leszczynski

  56. The contribution of ring conformational flexibility to the relative stability of isomeric cyclohexadienes

    Article • Chemical Physics Letters, March 1999, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski

  57. Conformational flexibility of six-membered 1,2-dihydrocycles and substituent electronic effects

    Article • Journal of Molecular Structure, June 1998, Elsevier

    Oleg Shishkin

  58. Conformational flexibility of di- and tetrahydropyrimidine rings in nucleic acid bases. An ab initio study

    Article • Journal of Molecular Structure, June 1998, Elsevier

    Oleg Shishkin

  59. Conformational flexibility of antiaromatic 1,4 heterocyclic analogues of 1,4-cyclohexadiene

    Article • Journal of Molecular Structure, April 1998, Elsevier

    Oleg Shishkin

  60. Conformational flexibility of six-membered 1,4-dihydrocycles

    Article • Journal of Molecular Structure, July 1997, Elsevier

    Oleg Shishkin

  61. Molecular structure and conformational flexibility of the 1,3-cyclohexadiene carbonyl derivatives

    Article • Journal of Molecular Structure, January 1997, Elsevier

    Oleg Shishkin

  62. Conformational flexibility of the 1,4-dihydropyridine ring in calcium channel agonists and antagonists molecules

    Article • Journal of Molecular Structure, December 1996, Elsevier

    Oleg Shishkin

  63. Molecular, electronic structure and conformational flexibility of the 1,6-dihydropyrimidine, 4,5-dihydrofuro[2,3-d]pyrimidine and their oxo, imino and methylene derivatives

    Article • Journal of Molecular Structure, November 1996, Elsevier

    Oleg Shishkin

  64. Conformational flexibility of dihydropyrimidinone and tetrahydropyrimidine-2,4-dione rings in DNA bases

    Article • Journal of the Chemical Society Chemical Communications, January 1995, Royal Society of Chemistry

    Oleg Shishkin

  65. Conformational Flexibility of 1,4-Dihydroazines

    Article • Mendeleev Communications, January 1994, Elsevier

    Oleg Shishkin