All Stories

  1. A Complementary Theoretical Study on 6‐Nitro BIPS Spiropyran Photoswitching Mechanism

    Article • ChemPhotoChem, December 2025, Wiley

    Dr Attila Bende

  2. First Principle Study of Dopamine O-Quinone Photochemistry Behavior

    Article • October 2024, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Attila Bende

  3. Nature of Charge Transfer Effects in Complexes of Dopamine Derivatives Adsorbed on Graphene-Type Nanostructures

    Article • International Journal of Molecular Sciences, September 2024, MDPI AG

    Dr Attila Bende

  4. Nature of Charge Transfer Effects in Complexes of Dopamine Derivatives Adsorbed on Graphene-Type Nanostructures

    Article • August 2024, MDPI AG

    Dr Attila Bende

  5. Theoretical insights into dopamine photochemistry adsorbed on graphene-type nanostructures

    Article • Physical Chemistry Chemical Physics, January 2024, Royal Society of Chemistry

    Dr Attila Bende

  6. Rydberg-type electronic excited state dynamics in small sodium–water clusters

    Article • Molecular Physics, August 2023, Taylor & Francis

    Dr Attila Bende

  7. Characterization of the Structural Changes of the Genomic DNA of Staphylococcus aureus Due to Femtosecond Laser Irradiation by Fourier Transform Infrared (FT-IR) Spectroscopy

    Article • Analytical Letters, June 2023, Taylor & Francis

    Dr Attila Bende

  8. Gold vs. Silver Colloidal Nanoparticle Films for Optimized SERS Detection of Propranolol and Electrochemical-SERS Analyses

    Article • Biosensors, May 2023, MDPI AG

    Dr Attila Bende

  9. Intermolecular-Type Conical Intersections in Benzene Dimer

    Article • International Journal of Molecular Sciences, February 2023, MDPI AG

    Dr Attila Bende

  10. Shifting emission of oxadiazoles via inter- or intramolecular hydrogen bonding

    Article • Dyes and Pigments, February 2023, Elsevier

    Dr Attila Bende

  11. New insight to the catechol photochemistry: The role of different monomer and dimer configurations in radiationless decay of S1 electronic excited state

    Article • September 2022, American Chemical Society (ACS)

    Dr Attila Bende

  12. Silver Nanoparticle Films Obtained by Convective Self-Assembly for Surface-Enhanced Raman Spectroscopy Analyses of the Pesticides Thiabendazole and Endosulfan

    Article • Frontiers in Chemistry, June 2022, Frontiers

    Dr Attila Bende

  13. Dopamine Photochemical Behaviour under UV Irradiation

    Article • International Journal of Molecular Sciences, May 2022, MDPI AG

    Dr Attila Bende

  14. Study of Mixed Clusters of Water and N,N'-dimethylethyleneurea

    Article • Ukrainian Journal of Physics, February 2022, National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)

    Dr Attila Bende

  15. Photoionization, Structures, and Energetics of Na‐Doped Formic Acid–Water Clusters

    Article • ChemPhysChem, January 2022, Wiley

    Dr Attila Bende

  16. Theoretical Study of Light-Induced Crosslinking Reaction Between Pyrimidine DNA Bases and Aromatic Amino Acids

    Article • Frontiers in Bioengineering and Biotechnology, January 2022, Frontiers

    Dr Attila Bende

  17. New insight into catechol photochemistry: the role of different monomer and dimer configurations in radiation-less decay of the S 1 electronic excited state

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Dr Attila Bende

  18. THE FULL MAPPING OF LOW-LYING EXCITED STATE RELAXATION DYNAMIC PATHWAYS FOR ACETOPHENONE

    Article • Studia Universitatis Babeș-Bolyai Chemia, September 2021, Babes-Bolyai University

    Dr Attila Bende

  19. The Influence of UV Femtosecond Laser Pulses on Bacterial DNA Structure, as Proved by Fourier Transform Infrared (FT‐IR) Spectroscopy

    Article • ChemistrySelect, July 2021, Wiley

    Dr Attila Bende

  20. An attempt to synthesize a terthienyl-based analog of indacenedithiophene (IDT): unexpected synthesis of a naphtho[2,3-b]thiophene derivative

    Article • RSC Advances, January 2021, Royal Society of Chemistry

    Dr Attila Bende

  21. Theoretical modeling of the singlet–triplet spin transition in different Ni(ii)-diketo-pyrphyrin-based metal–ligand octahedral complexes

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr Attila Bende

  22. Halogen-Bonded Organic Frameworks of Perfluoroiodo- and Perfluorodiiodobenzene with 2,2′,7,7′-Tetrapyridyl-9,9′-spirobifluorene

    Article • Crystal Growth & Design, December 2020, American Chemical Society (ACS)

    Dr Attila Bende

  23. Calculations of electron transfer in the tris[4-(2-thienyl)phenyl]amine–C70 donor-acceptor system

    Article • Chemical Physics Letters, September 2020, Elsevier

    Dr Attila Bende

  24. Synthesis, Structure and Supramolecular Properties of a Novel C3 Cryptand with Pyridine Units in the Bridges

    Article • Molecules, August 2020, MDPI AG

    Dr Attila Bende

  25. Halogen Bonds (N---I) at Work: Supramolecular Catemeric Architectures of 2,7-Dipyridylfluorene with ortho-, meta-, or para-Diiodotetrafluorobenzene Isomers

    Article • Crystal Growth & Design, March 2020, American Chemical Society (ACS)

    Dr Attila Bende

  26. Exploring the Polymorphism of Drostanolone Propionate

    Article • Molecules, March 2020, MDPI AG

    Dr Attila Bende

  27. Clusters tagged by alkali metals

    Article • January 2020, American Institute of Physics

    Dr Attila Bende

  28. DFT study of adiabatic singlet-triplet energy gaps in Ni(II)-based macrocyclic-ligand supramolecular complexes

    Article • January 2020, American Institute of Physics

    Dr Attila Bende

  29. Sugar matters: sugar moieties as reactivity-tuning factors in quercetin O-glycosides

    Article • Food & Function, January 2020, Royal Society of Chemistry

    Dr Attila Bende

  30. The influence of monovalent and divalent metal cations on the stability of the DNA-protein interaction in the nucleosome core particle

    Article • January 2020, Elsevier

    Dr Attila Bende

  31. Improving the Light-Induced Spin Transition Efficiency in Ni(II)-Based Macrocyclic-Ligand Complexes

    Article • Molecules, November 2019, MDPI AG

    Dr Attila Bende

  32. Design, synthesis and structure of novel dendritic G-2 melamines comprising piperidine motifs as key linkers and 4-(n-octyloxy)aniline as a peripheral unit

    Article • Tetrahedron, August 2019, Elsevier

    Dr Attila Bende

  33. Intermolecular Interaction in Methylene Halide (CH2F2, CH2Cl2, CH2Br2 and CH2I2) Dimers

    Article • Molecules, May 2019, MDPI AG

    Dr Attila Bende

  34. Light-induced spin transitions in Ni(II)-based macrocyclic-ligand complexes: A DFT study

    Article • Journal of Photochemistry and Photobiology A Chemistry, May 2019, Elsevier

    Dr Attila Bende

  35. Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride

    Article • Acta Crystallographica Section C Structural Chemistry, January 2019, International Union of Crystallography

    Dr Attila Bende, Alexandru Turza

  36. UV Photoionization of Sodium-Doped Formic Acid Clusters

    Article • ChemPhysChem, August 2018, Wiley

    Dr Attila Bende

  37. Design, synthesis and structure of novel G-2 melamine-based dendrimers incorporating 4-(n-octyloxy)aniline as a peripheral unit

    Article • Beilstein Journal of Organic Chemistry, July 2018, Beilstein Institut

    Dr Attila Bende

  38. A three-armed cryptand with triazine and pyridine units: synthesis, structure and complexation with polycyclic aromatic compounds

    Article • Beilstein Journal of Organic Chemistry, June 2018, Beilstein Institut

    Dr Attila Bende

  39. Poly[3,4-dihydroxybenzhydrazide]: A Polydopamine Analogue?

    Article • Macromolecular Chemistry and Physics, April 2018, Wiley

    Dr Attila Bende

  40. Graphene-porphyrin composite synthesis through graphite exfoliation: The electrochemical sensing of catechol

    Article • Sensors and Actuators B Chemical, March 2018, Elsevier

    Dr Attila Bende

  41. New p -aminophenol-based dendritic melamines. Iterative synthesis, structure, and electrochemical characterisation

    Article • Comptes Rendus Chimie, April 2017, Elsevier

    Dr Attila Bende

  42. The nature of intermolecular interactions in pyridinium–anion–β-hexachlorocyclohexane molecular crystals

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Attila Bende

  43. Low-lying excited states and their relaxation pathways of phenothiazine

    Article • January 2017, American Institute of Physics

    Dr Attila Bende

  44. Glassy carbon electrode modified with hemin and new melamine compounds for H2O2 amperometric detection

    Article • Journal of Solid State Electrochemistry, June 2016, Springer Science + Business Media

    Dr Attila Bende

  45. Supramolecular anion recognition by β-HCH

    Article • Chemical Communications, January 2016, Royal Society of Chemistry

    Dr Attila Bende

  46. Encasing of Na+ion in dimer-formed acetic acid clusters

    Article • Journal of Mass Spectrometry, August 2015, Wiley

    Dr Attila Bende

  47. Inception of Acetic Acid/Water Cluster Growth in Molecular Beams

    Article • ChemPhysChem, August 2015, Wiley

    Dr Attila Bende

  48. Theoretical investigation of polymer chain stability in the metal coordinated azorubine and cyclam complex

    Article • Chemical Physics, August 2015, Elsevier

    Dr Attila Bende

  49. Modeling laser induced molecule excitation using real-time time-dependent density functional theory: application to 5- and 6-benzyluracil

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Attila Bende

  50. Exotic Allotropes of Carbon

    Article • January 2015, Springer Science + Business Media

    Dr Attila Bende

  51. Modeling Laser-Induced Molecule Excitations Using Real-Time, Time-Dependent Density Functional Theory

    Article • January 2015, Elsevier

    Dr Attila Bende

  52. Tautomerism and proton transfer in photoionized acetaldehyde and acetaldehyde-water clusters

    Article • Journal of Mass Spectrometry, July 2014, Wiley

    Dr Attila Bende

  53. Influence of the sequence on the ab initio band structures of single and double stranded DNA models

    Article • Physics Letters A, June 2014, Elsevier

    Dr Attila Bende

  54. Quantum molecular biological investigation of the onset of cancer

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

    Dr Attila Bende

  55. Synthesis, structure, electrochemical behaviour and electrochemical investigations on the assembling with pyrene of a novel C3cryptand

    Article • Supramolecular Chemistry, April 2014, Taylor & Francis

    Dr Attila Bende

  56. The influence of anharmonic and solvent effects on the theoretical vibrational spectra of the guanine–cytosine base pairs in Watson–Crick and Hoogsteen configurations

    Article • Journal of Molecular Modeling, February 2014, Springer Science + Business Media

    Dr Attila Bende

  57. Dressed Adiabatic and Diabatic Potentials To Study Topological Effects for F + H2

    Article • The Journal of Physical Chemistry A, February 2014, American Chemical Society (ACS)

    Dr Attila Bende

  58. Carbon multi-shell cages

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

    Dr Attila Bende

  59. Structure of Polydopamine: A Never-Ending Story?

    Article • Langmuir, August 2013, American Chemical Society (ACS)

    Dr Attila Bende, Dr. Rodica Turcu

  60. Hole mobilities of periodic models of DNA double helices in the nucleosomes at different temperatures

    Article • Chemical Physics Letters, April 2013, Elsevier

    Dr Attila Bende

  61. Vacuum ultraviolet photoionization and ab initio Investigations of methyl tert-butyl ether (MTBE) clusters and MTBE–water clusters

    Article • Chemical Physics Letters, March 2013, Elsevier

    Dr Attila Bende

  62. Dressed Adiabatic and Diabatic Potentials for the Renner–Teller/Jahn–Teller F + H2 System

    Article • The Journal of Physical Chemistry A, January 2013, American Chemical Society (ACS)

    Dr Attila Bende

  63. A tri-atomic Renner-Teller system entangled with Jahn-Teller conical intersections

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

    Dr Attila Bende

  64. Low-lying excited-states of 5-benzyluracil

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Attila Bende

  65. Low-lying excited-states and relaxation pathways of acetophenone

    Article • January 2013, American Institute of Physics

    Dr Attila Bende

  66. Energetics of Multi-shell Cages

    Article • January 2013, Springer Science + Business Media

    Dr Attila Bende

  67. On diamond D5

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

    Dr Attila Bende

  68. Possible role of ions in DNA–protein interactions in the nucleosomes

    Article • Chemical Physics Letters, February 2012, Elsevier

    Dr Attila Bende

  69. Chitosan-based nanocarriers for antimalarials

    Article • January 2012, American Institute of Physics

    Dr Attila Bende

  70. Solvent effect on the anharmonic vibrational frequencies in guanine-cytosine base pair

    Article • January 2012, American Institute of Physics

    Dr Attila Bende

  71. Study of binary systems of β-cyclodextrin with a highly potential anti-mycobacterial drug

    Article • Journal of Inclusion Phenomena and Macrocyclic Chemistry, November 2011, Springer Science + Business Media

    Dr Attila Bende

  72. Weakly bonded cluster structures of N,N′-dimethylethyleneurea and water

    Article • Journal of Molecular Liquids, August 2011, Elsevier

    Dr Attila Bende

  73. Structural investigation of chitosan-based microspheres with some anti-inflammatory drugs

    Article • Journal of Molecular Structure, June 2011, Elsevier

    Dr Attila Bende

  74. Nitrogen Substituted Phenothiazine Derivatives: Modelling of Molecular Self-Assembling

    Article • International Journal of Molecular Sciences, May 2011, MDPI AG

    Dr Attila Bende

  75. Localization and anharmonicity of the vibrational modes for GC Watson–Crick and Hoogsteen base pairs

    Article • Journal of Molecular Modeling, March 2011, Springer Science + Business Media

    Dr Attila Bende

  76. Model calculations of the energy band structures of double stranded DNA in the presence of water and Na+ ions

    Article • Solid State Communications, February 2011, Elsevier

    Dr Attila Bende

  77. Ab initio structures of interacting methylene chloride molecules with comparison to the liquid phase

    Article • Journal of Molecular Liquids, February 2011, Elsevier

    Dr Attila Bende

  78. Molecular Modeling of Phenothiazine Derivatives: Self-Assembling Properties

    Article • The Journal of Physical Chemistry A, December 2010, American Chemical Society (ACS)

    Dr Attila Bende

  79. Photoionisation and structures of jet-formed toluene clusters

    Article • Chemical Physics Letters, July 2010, Elsevier

    Dr Attila Bende

  80. Omega Polynomial in Diamond-like Networks

    Article • Fullerenes Nanotubes and Carbon Nanostructures, May 2010, Taylor & Francis

    Dr Attila Bende, Professor Dusanka Janezic

  81. Model calculation of the specific hole conductivities of three homopolynucleotides, poly(guanilic acid), poly(adenilic acid) and polythymidine in the presence of water and ions

    Article • Solid State Communications, March 2010, Elsevier

    Dr Attila Bende

  82. Hydrogen bonding in the urea dimers and adenine–thymine DNA base pair: anharmonic effects in the intermolecular H-bond and intramolecular H-stretching vibrations

    Article • Theoretical Chemistry Accounts, October 2009, Springer Science + Business Media

    Dr Attila Bende

  83. Molecular modeling of the weakly bounded dimers of some phenothiazine derivatives

    Article • Journal of Physics Conference Series, August 2009, Institute of Physics Publishing

    Dr Attila Bende

  84. Circulene covered fullerenes

    Article • Journal of Molecular Structure THEOCHEM, June 2009, Elsevier

    Dr Attila Bende, Professor Dusanka Janezic

  85. Charge transfer between DNA and proteins in the nucleosomes

    Article • Theoretical Chemistry Accounts, May 2009, Springer Science + Business Media

    Dr Attila Bende

  86. H-Bond-Driven Supramolecular Architectures of theSynandAntiIsomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione

    Article • The Journal of Organic Chemistry, May 2009, American Chemical Society (ACS)

    Dr Richard Attila Varga, Dr Attila Bende

  87. A simple model for the band structure and D.C. conductivity of an infinite CO···HN chain perpendicular to the protein backbone

    Article • International Journal of Quantum Chemistry, January 2009, Wiley

    Dr Attila Bende

  88. Calculation of the hole mobilities of the three homopolynucleotides, poly(guanilic acid), poly(adenilic acid), and polythymidine in the presence of water andNa+ions

    Article • Physical Review E, December 2008, American Physical Society (APS)

    Dr Attila Bende

  89. Weak intermolecular bonding in N,N′-dimethylethyleneurea dimers and N,N′-dimethylethyleneurea–water systems: The role of the dispersion effects in intermolecular interaction

    Article • Chemical Physics, December 2008, Elsevier

    Dr Attila Bende

  90. The role of water and K+ ion in the charge transfer between

    Article • Chemical Physics Letters, September 2008, Elsevier

    Dr Attila Bende

  91. The electronic structure of the four nucleotide bases in DNA, of their stacks, and of their homopolynucleotides in the absence and presence of water

    Article • The Journal of Chemical Physics, March 2008, American Institute of Physics

    Dr Attila Bende

  92. ITIM distributed grid system applied in high energy, biomolecular and nanotehnology physics

    Article • January 2008, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Attila Bende

  93. Calculation of the band structure of polyguanilic acid in the presence of water and Na+ ions

    Article • The Journal of Chemical Physics, August 2007, American Institute of Physics

    Dr Attila Bende

  94. Charge transfer between the

    Article • Chemical Physics Letters, March 2007, Elsevier

    Dr Attila Bende

  95. BSSE-corrected geometry and harmonic and anharmonic vibrational frequencies of formamide-water and formamide-formamide dimers

    Article • International Journal of Quantum Chemistry, January 2005, Wiley

    Dr Attila Bende

  96. Theoretical study of hydrogen bonds between acetylene and selected proton donor systems

    Article • International Journal of Quantum Chemistry, September 2004, Wiley

    Dr Attila Bende

  97. Ab initio study of the ammonia-ammonia dimer: BSSE-free structures and intermolecular harmonic vibrational frequencies

    Article • International Journal of Quantum Chemistry, January 2004, Wiley

    Dr Attila Bende

  98. BSSE-free description of intermolecular force constants in hydrogen fluoride and water dimers

    Article • International Journal of Quantum Chemistry, January 2003, Wiley

    Dr Attila Bende

  99. BSSE-free description of the formamide dimers

    Article • International Journal of Quantum Chemistry, January 2001, Wiley

    Dr Attila Bende