részletes keresés


Utolsó frissítés: 2015-09-28

Szakfolyóiratban közölt szaktanulmány, szakcikk

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    2018

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    Bende, A., Gaele, M. F., Di Palma T. M. (2018): UV Photoionization of Sodium‐Doped Formic Acid Clusters. — CHEMPHYSCHEM, 19(20):2724 — 2734. IF: 2,947.

    [DOI]
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    Coroş, M., Pogăcean,, Măgeruşan, F. L. Roşu, M.-C., Porav, A. S., Socaci, C., Bende, A. Stefan-van Staden, R.-I., Pruneanu, S. (2018): Graphene-porphyrin composite synthesis through graphite exfoliation: The electrochemical sensing of catechol. — Sensors and Actuators B: Chemical, 256:665 – 673. IF: 5,667.

    [DOI]
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    Lar, C., Woiczechowski-Pop, A., Bende, A., Grosu, I. G., Miklášová, N., Bogdan, E., Hădade, N. D., Terec, A., Grosu, I. (2018): A three-armed cryptand with triazine and pyridine units: synthesis, structure and complexation with polycyclic aromatic compounds. — Beilstein Journal of Organic Chemistry, 14:1370 — 1377. IF: 2,330.

    [DOI]
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    Morar, C., Lameiras, P., Bende, A., Katona, G., Gál, E., Darabantu,  M. (2018): Design, synthesis and structure of novel G-2 melamine-based dendrimers incorporating 4-(n-octyloxy)aniline as a peripheral unit. — Beilstein Journal of Organic Chemistry, 14:1704 — 1722. IF: 2,330.

    [DOI]
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    Petran, A., Hădade, N. D., Filip, C., Filip, X., Bende, A., Popa, A., Liebscher, J. (2018): Poly[3,4‐dihydroxybenzhydrazide]: A Polydopamine Analogue?. — Macromolecular Chemistry and Physics, 219(10):1700564. IF: 2,492.

    [DOI]
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    2017

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    C. Morar, C., Turdean, G. L., Bende, A., Lameiras, P., Antheaume, C., Muresan, L. M., Darabantu, M. (2017): New p-aminophenol-based dendritic melamines. Iterative synthesis, structure, and electrochemical characterisation. — Comptes Rendus Chimie, 20:402 – 414. IF: 1,877.

    [DOI]
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    Grosu, I. G., Rednic, M. I., Miclăuş, M., Grosu, I., Bende, A. (2017): The nature of intermolecular interactions in pyridinium–anion–β-hexachlorocyclohexane molecular crystals. — Physical Chemistry Chemical Physics, 19(31):20691 – 2069. IF: 3,906.

    [DOI]
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    2016

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    Deac, A. R., Morar, C., Turdean, G. L., Darabantu, M., Gál, E., Bende, A., Muresan, L. M. (2016): Glassy carbon electrode modified with hemin and new melamine compounds for H2O2 amperometric detection. — Journal of Solid State Electrochemistry, 20:3071 – 3081. IF: 2,265.

    [DOI]
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    Rednic, M. I., Varga, R. A., Bende, A., Grosu, I. G., Miclăuş, M., Hădade, N. D., Terec, A., Bogdan, E., Grosu, I. (2016): Supramolecular anion recognition by β-HCH. — Chemical Communications, 52:12322 – 12325. IF: 6,567.

    [DOI]
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    2015

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    Bende, A., Perretta, G., Sementa, P., Di Palma, T. M. (2015): Inception of acetic acid-water cluster growth in molecular beams. — CHEMPHYSCHEM, 16(14):3021 – 3029. IF: 3,419.

    [DOI]
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    Bende, A., Toşa, V. (2015): Modeling laser induced molecule excitation using real-time time-dependent density functional theory: Application to 5- and 6-benzyluracil. — Physical Chemistry Chemical Physics, 17(8):5861 - 5871. IF: 4,493.

    [DOI]
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    Di Palma, T. M., Bende, A. (2015): Encasing of Na+ ion in dimer-formed acetic acid clusters. — Journal of Mass Spectrometry, 50(10):1136 – 1143. IF: 2,379.

    [DOI]
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    Vlassa, Mihaela, Bende, A . (2015): Theoretical investigation of polymer chain stability in the metal coordinated azorubine and cyclam complex. — Chemical Physics, 457:152–159. IF: 1,652.

    [DOI]
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    Woiczechowski-Pop, A., Gligor, D., Bende, A., Varodi, C., Bogdan, E., Terec, A., Grosu, I. (2015): Synthesis, structure, electrochemical behaviour and electrochemical investigations on the assembling with pyrene of a novel C3 cryptand. — Supramolecular Chemistry, 27(1-2):52 – 58. IF: 2,394.

    [DOI]
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    2014

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    Bende, A., Muntean, C. M. (2014): The influence of anharmonic and solvent effects on the theoretical vibrational spectra of the guanine-cytosine base pairs in Watson-Crick and Hoogsteen configurations. — Journal of Molecular Modeling, 20(3):2113. IF: 1,736

    [DOI]
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    Bogár, F., Bende, A., Ladik, J. (2014): Influence of the sequence on the ab initio band structures of single and double stranded DNA models. — Physics Letters A, 378:157 – 2162. IF: 1,683

    [DOI]
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    Csehi, A., Bende, A., Halász, G. J., Vibók, Á., Das, A., Mukhopadhyay, D., Mukherjee, S., Adhikari, S., Baer, M. (2014): Dressed Adiabatic and Diabatic Potentials to study Topological Effects for F + H2 System. — Journal of Physical Chemistry A, 118(33):6361 – 6366. IF: 2,952.

    [DOI]
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    Di Palma, T. M., Bende, A. (2014): Tautomerism and proton transfer in photoionized acetaldehyde and acetaldehyde-water clusters. — Journal of Mass Spectrometry, 49(8):700 – 708. IF: 2,379.

    [DOI]
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    Diudea, M. V., Nagy, Cs. L., Bende, A. (2014): Carbon multi-shell cages. — Physical Chemistry Chemical Physics, 16(11):5260 - 5269. IF: 4,493

    [DOI]
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    Ladik, J., Bende, A. (2014): Quantum Molecular Biological Investigation of the Onset of Cancer. — International Journal of Quantum Chemistry, 114(18):1229 – 1235. IF: 1,432

    [DOI]
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    2013

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    Bende, A., Bogár, F., Ladik, J. (2013): Hole mobilities of periodic models of DNA double helices in the nucleosomes at different temperatures. — Chemical Physics Letters, 565:128-131. IF: 1,897

    [DOI]
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    Csehi, A., Bende, A., Halász, G. J., Vibók, Á., Das, A., Mukhopadhyay, D., Baer, M. (2013): A tri-atomic Renner-Teller system entangled with Jahn-Teller conical intersections. — Journal of Chemical Physics, 138(2):024113. IF: 2,952

    [DOI]
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    Csehi, A., Bende, A., Halász, G. J., Vibók, Á., Das, A., Mukhopadhyay, D., Mukherjee, S., Adhikari, S., Baer, M. (2013): Dressed Adiabatic and Diabatic Potentials for the Renner–Teller/Jahn–Teller F+ H2 System. — The Journal of Physical Chemistry A, 117(36):8497–8505. IF: 2,693

    [DOI]
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    Di Palma, T. M., Bende, A. (2013): Vacuum Ultraviolet Photoionization and ab initio Investigations of Methyl Tert-Butyl Ether (MTBE) Clusters and MTBE - Water Clusters. — Chemical Physics Letters, 561-562:18-13. IF: 1,897

    [DOI]
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    Liebscher, J., Mrówczyński, R., Scheidt, H. A., Filip, C., Hădade, N. D., Turcu, R., Bende, A., Beck, S. (2013): The Structure of Polydopamine–a Never Ending Story? — Langmuir, 22(33):10539–10548. IF: 4,457.

    [DOI]
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    Micciarelli, M., Altucci, C., Della Ventura, B., Velotta, R., Toşa, V., Gonzalez Perez, A. B., Perez Rodrıguez, M., de Lera, A. R., Bende, A. (2013): Low-lying excited-states of 5-benzyluracil. — Physical Chemistry Chemical Physics, 15(19):7161 - 7173. IF: 4,493

    [DOI]
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    2012

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    Bende, A., Bogár, F., Ladik, J. (2012): Possible role of Cl¯ ions in DNA-protein interactions in the nucleosomes. — Chemical Physics Letters 525 - 526: 115 - 119. IF: 2,337.

    [DOI]
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    Boldescu, V., Bratu, I., Borodi, Gh., Kacsó, I., Bende, A., Duca, Gh., Macaev, F., Pogrebnoi, S.,Ribkovskaia Z. (2012): Study of binary systems of β-cyclodextrin with a highly potential anti-mycobacterial drug. — Journal of Inclusion Phenomena and Macrocyclic Chemistry 74: 129-135. IF: 1,220.

    [DOI]
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    Bradea, O., Kacsó, I., Borodi, Gh., Bende, A., Bratu, I. (2012): Complexation of Amlodipine Besylate with β-Cyclodextrin. — Acta Chimica Slovenica 59(1):18 — 23. IF: 0,686

    [pdf, 330.5k]
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    Diudea, M. V., Nagy, Cs. L., Bende, A. (2012): On Diamond D5. — Structural Chemistry, 23(4):981 - 986. IF: 1,837.

    [DOI]
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    2011

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    Almásy, L., Bende, A. (2011): Ab initio structures of interacting methylene chloride molecules with comparison to the liquid phase. — Journal of Molecular Liquids 158(3): 205—207. IF: 1,278.

    [DOI]
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    Bende, A., Almásy, L. (2011): Weakly bonded cluster structures of N,N'-dimethylethyleneurea and water. — Journal of Molecular Liquids 162(2): 45-49. IF: 1,278

    [DOI]
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    Bende, A., Bogár, F., Ladik, J. (2011): Model calculations of the energy band structures of double stranded DNA in the presence of water and Na+ ions. — Solid State Communications 151(4): 301—305. IF: 1,837.

    [DOI]
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    Bende, A., Bogdan, D., Muntean, C.M., Morari, C. (2011): Localization and anharmonicity of the vibrational modes for the GC Watson-Crick and Hoogsteen base pairs. — Journal of Molecular Modeling 17(12): 3265-3274. IF: 2,336.

    [DOI]
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    Bende, A., Turcu, I. (2011): Nitrogen substituted phenothiazine derivatives: Modeling of molecular self-assembling. — International Journal of Molecular Sciences (Special Issue "Advances in Molecular Electronic Structure Calculations") 12(5): 3102—3116. IF: 1,387.

    [DOI]
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    Dreve, S., Kacsó, I., Popa, A., Raita, O., Dragan, F., Bende, A., Borodi, Gh., Bratu, I. (2011): Structural Investigation of Chitosan-based Microspheres with some Anti Inflammatory Drugs. — Journal of Molecular Structure 997(1-3): 78-86. IF: 1,551.

    [DOI]
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    2010

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    Bende, A. (2010): Hydrogen bonding in urea dimers and adenine-thymine DNA base pair: Anharmonic effects in intermolecular H-bond and intramolecular H-stretching vibrations. — Theoretical Chemistry Accounts 125(3-6): 253—268. IF: 2,370.

    [DOI]
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    Bende, A., Bogár, F., Beleznay, F., Ladik, J. (2010): Model calculation of the specific hole conductivities of the three homopolynucleotides, poly(guanilic acid), poly(adenilic acid) and polythymidine in presence of water and Na+ ions. — Solid State Communications 150(9-10): 446—449. IF: 1,837.

    [DOI]
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    Bende, A., Grosu, I., Turcu, I. (2010): Molecular Modeling of Phenothiazine Derivatives: Self-Assembling Properties. — Journal of Physical Chemistry A 114(47): 12479—12489. IF: 2,899.

    [DOI]
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    Di Palma, T.M., Bende, A., Borghese, A. (2010): Photoionisation and Structures of Jet-Formed Toluene Clusters. — Chemical Physics Letters 495(1-3): 17—23. IF: 2,291.

    [DOI]
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    Diudea, M.V., Bende, A., Janežič, D. (2010): Omega polynomial in diamond-like networks. — Fullerenes, Nanotubes and Carbon Nanostructures 18(3): 236—243. IF: 0,710.

    [DOI]
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    Ladik, J., Bende, A., Bogár, F. (2010): Charge Transfer between DNA and Proteins in the Nucleosomes. — Theoretical Chemistry Accounts 125(3-6): 185—191. IF: 2,370.

    [DOI]
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    2009

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    Bende, A., Bogár, F., Ladik, J. (2009): A Simple Model for the Band Structure and D.C. Conductivity of an Infinite C=O...H-N Chain Perpendicular to the Protein Backbone. — International Journal of Quantum Chemistry 109(3): 612—617. IF: 1,317.

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    Bende, A., Turcu, I. (2009): Molecular modeling of the weakly bounded dimers of some phenothiazine derivatives. — Journal of Physics: Conference Series 182: 012001.

    [DOI]
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    Diudea, M.V., Vizitiu, A.E., Beu, T.A., Bende, A., Nagy, Cs.L., Janežič, D. (2009): Circulene covered fullerenes. — Journal of Molecular Structure: THEOCHEM 904: 28—34. IF: 1,167.

    [DOI]
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    Toşa, N., Bende, A., Varga, R.A., Terec, A., Bratu, I., Grosu, I. (2009): H-bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione. — Journal of Organic Chemistry 74(10): 3944—3947. IF: 3,952.

    [DOI]
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    2008

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    Bende, A., Almásy, L. (2008): Weak intermolecular bonding in N,N'-dimethyl-ethyleneurea dimers and N,N'- dimethylethyleneurea - water systems: The role of the dispersion effects in intermolecular interaction. — Chemical Physics 354(1-3): 202—210. IF: 1,961.

    [DOI]
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    Bende, A., Bogár F., Ladik, J. (2008): The Role of Water and K+ Ion in the Charge Transfer between PO4- Grups of DNA and the Lysine+ and Arginine+ Side Chains of Histone Proteins. — Chemical Physics Letters 463(1-3): 211—213. IF: 2,169.

    [DOI]
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    Bende, A., Bogár, F., Beleznay, F., Ladik, J. (2008): Calculation of the hole mobilities of the three homopolynucleotides poly(guanilic acid), poly(adenilic acid), and polythymidine in the presence of water and Na+ ions. — Physics Review E 78(6): 061923. IF: 2,508.

    [DOI]
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    Ladik, J., Bende, A., Bogár, F. (2008): The electronic structure of the four nucleotide bases in DNA, of their stacks and of their homopolynucleotides in the absence and presence of water. — Journal of Chemical Physics 128: 105101. IF: 3,149.

    [DOI]
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    2007

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    Bende, A., Bogár, F., Ladik, J. (2007): Charge Transfer between the PO4- groups of DNA and the arginine+ and lysine+ side chains of proteins. — Chemical Physics Letters 437: 117—119. IF: 2,207.

    [DOI]
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    Ladik, J., Bende, A., Bogár, F. (2007): Calculation of the band structure of polyguanilic acid in the presence of water and Na+ ions. — Journal of Chemical Physics 127: 055102. IF: 3,044.

    [DOI]
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    2001 - 2006

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    Bende, A., Suhai, S. (2005): BSSE-corrected geometry, harmonic and anharmonic vibrational frequencies of formamide-water and formamid-formamide dimers. — International Journal of Quantum Chemistry 103(6): 841—853. IF: 1,192.

    [DOI]
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    Bende, A., Vibók, Á., Halász, G.J., Suhai, S. (2005): Theoretical Study of Hydrogen Bonds between Acetylene and Selected Proton Donor Systems. — International Journal of Quantum Chemistry 101(2): 186—200. IF: 1,192.

    [DOI]
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    Bende, A., Vibók, Á., Halász, G.J., Suhai, S. (2004): Ab initio Study of the Ammonia - Ammonia Dimer: BSSE-free Structures and Intermolecular Harmonic Vibrational Frequencies. — International Journal of Quantum Chemistry 99(5): 585—593. IF: 1,392.

    [DOI]
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    Bende, A., Knapp-Mohammady, M., Suhai, S. (2003): BSSE-free Description of Intermolecular Force Constants in Hydrogen Fluoride and Water Dimers. — International Journal of Quantum Chemistry 92(2): 152—159. IF: 1,171.

    [DOI]
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    Bende, A., Vibók, Á., Halász, G.J., Suhai, S. (2001): BSSE-free Description of the Formamide Dimers. — International Journal of Quantum Chemistry 84: 617—622. IF: 1,249.

    [DOI]

Tudományos tanulmányok

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    Bende, A., Almásy, L. (2011): Ab initio study of mixed clusters of water and N, N′-dimethylethyleneurea. — Ukrainian Journal of Physics. 56(8):796-800.

    [pdf, 742.3k]
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    Vizitiu, A.E., Diudea, M.V., Beu, T.A., Bende, A. (2008): Fullerene Aromaticity by Circulene-Flower Coverings. — International Journal of Chemical Modeling 1(1): 7—14.

    [pdf, 1276.3k]
  • > Nan, A., Crăciunescu, I., Bende, A., Turcu, R., Reichert, D., Liebscher, J. (2008): Synthesis and Structure Investigations of Functionalized Polypyrrole Copolymers. — Journal of Nanostructured Polymers and Nanocomposites 4(1): 3—12. [pdf, 1690.6k]
  • > Morariu, V.V., Zainea, O., Bende, A., Popescu, O. (2006): The Statistical Physics of Microbial Genomes: Part I. Organisation of Coding Sequencies in the Chromosome of Escherichia Coli. — Romanian Journal of Biophysics 16(2): 103—110. [pdf, 85.1k]
  • > Bende, A., Suhai, S. (2005): H-Bond Vibrations in Ammonia - Ammonia and Ammonia - Water Dimers. — Acta Physica et Chimica Debrecina 38—39: 55—69. [pdf, 173k]
  • > Bende, A., Toşa, V. (2005): IR Multiphoton Absorption Spectra of Some Freon Molecules Used in 13C Isotope Separation. — Asian Journal of Physics 15(2): 275—281. [pdf, 163.5k]
  • > Toşa, N., Bende, A., Bratu, I., Grosu, I. (2005): Theoretical Modeling and Experimetal Study of Intramolecular Hydrogen-bond in Tetramethyl 3,7 — dihydroxy-bicyclo-[3.3.1]-nona-2,6-diene-2,4,6,8-tetracarboxylate. — Studia UBB Chemia 50(2): 157—162. [pdf, 1076.5k]
  • > Toşa, V., Bende, A., Silipas, T.D., Kim, H.T., Nam, C.H. (2005): Modelling Plasma Fluorescence Induced by Femtosecond Pulse Propagation in Ionizing Gases. — Romanian Journal of Physics 50(7-8): 741—748. [pdf, 219.3k]
  • > Bende, A., Toşa, V. (2004): Geometry Structure and IR Multiphoton Excitation Spectra of SiF2H2. A theoretical study. — Acta Physica et Chimica Debrecina 37: 51—68. [pdf, 271.8k]
  • > Toşa, N., Bende, A., Cântă-Pânzaru, S., Grosu, I., Surducan, E. (2004): Structure and Vibrational Spectra of Tetramethyl 3,7-dihydroxybicyclo[3.3.1]nona-2,6-diene- 2,4,6,8-tetracarboxylate and Bicyclo[3.3.1]nonane-3,7-dione. — Studia UBB Physica 44(3): 289—292. [pdf, 790.5k]
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    Bende, A., Vibók, Á., Halász, G.J., Suhai, S. (2003): Ab initio Study of the Ammonia - Water Dimer. BSSE-free Structures and Intermolecular Harmonic Vibrational Frequencies. — Acta Physica et Chimica Debrecina 36: 7—23.

    [pdf, 1125.7k]
  • > Bende, A., Toşa, V. (2003): Ab Initio Density Functional Study of CF2HCl and its isotopic species. — STUDIA UBB Physica Special Issue, 48(2): 453 —456. [pdf, 130.1k]
  • > Bende, A., Toşa, V. (1999): A Model for Infrared Multiple Photon Excitation of CF2HCl. — Roumanian Reports in Physics 51: 917—922. [pdf, 3950.2k]
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    Hamza, A., Bende, A. (1997): (SF6)n- Arm Cluster Structures. — STUDIA UBB Physica 42(2): 55—65.

Konferenciakötetben közölt szaktanulmány, szakcikk

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    Bende, A. (2013): Low-lying excited-states and relaxation pathways of acetophenone. — 9th International Conference on Processes in Isotopes and Molecules (PIM 2013), AIP Conderence Proceedings, 1656:24-28.

    [DOI]
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    Bende, A., Muntean, C. M. (2012): Solvent Effect on the Anharmonic Vibrational Frequencies in Guanine–Cytosine Base Pair. — 8th International Conference on Processes in Isotopes and Molecules (PIM 2011), AIP Conderence Proceedings, 1425:5 - 8.

    [DOI]
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    Bende, A., Toşa, V. (2012): The role of the internal rotation on the 5-benzyluracil excited states. — Tier 2 Federation Grid, Cloud & High Performance Computing Science (RO-LCG) Conference Proceedings, 15 - 18.

    [pdf, 621k]
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    Dreve, S., Kacsó, I., Popa, A., Raita, O., Bende, A., Borodi, Gh., Bratu, I (2012): Chitosan-Based Nanocarriers For Antimalarials. — 8th International Conference on Processes in Isotopes and Molecules (PIM 2011), AIP Conderence Proceedings, 1425:17 - 21.

    [DOI]
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    Bende, A., Turcu, I. (2008): Intermolekuláris kölcsönhatások fenotiazin alapú rendszerekben (Intermolecular Interactions in Phenothiazine Molecular Systems). — Proceedings of 14th International Conference of Chemistry 247—250.

    [pdf, 1133.3k]
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    Fărcaş, F., Popeneciu, G., Bende, A., Morari, C., Belov, S., Miclea, L. (2008): ITIM distributed grid system applied in high energy, biomolecular and nanotehnology physics. — 2008 IEEE International Conference on Automation, Quality and Testing, Robotics, AQTR 2008 - THETA 16th Edition - Proceedings 3: 343—346.

    [DOI]
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    Bende, A. (2005): Belső hidrogén-híd kötések tanulmányozása kvantumkémiai módszerekkel 3,7tetrametil-dihidroxibiciklo [3.3.1]nona-2,6-diene-2,4,6,8-tetrakarboxil esetén (Quantum Chemical Study of Intramolecular Hydrogen Bonds in case of Tetramethyl-3,7-dihydroxybicyclo-[3.3.1]nona-2,6,diene-2,4,6,8-tetracarboxylate). — Proceedings of 11th International Conference of Chemistry 169—172.

    [pdf, 773.8k]
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    Bende, A. (2003): Véges bázis effektusok az intermolekuláris kölcsönhatások elméletében (Basis Set Superposition Error in Intermolecular Interactions). —Proceedings of 9th International Conference of Chemistry 112—115.

    [pdf, 695.8k]

Könyvfejezetek

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    Bende, A. (2015): Chapter 3: Modeling Laser-Induced Molecule Excitations Using Real-Time, Time-Dependent Density Functional Theory. — in: Dixon D. A. (szerk.): Annual Reports in Computational Chemistry, Volume 11, Pages: 103 – 146, Elsevier Science; Amsterdam, Netherlands;  ISBN:978-0-444-63710-9

    [DOI]
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    Diudea, M. V., Szefler, B., Nagy, Cs. L., Bende, A. (2015): Chapter 8: Exotic Allotropes of Carbon. — in: Putz, M. V., Ori, O. (szerk.): Exotic Properties of Carbon Nanomatter, Carbon Materials: Chemistry and Physics, Volume 8, Pages 185-201, Springer Dordrecht Heidelberg New York London ISBN:978-94-017-9567-8.

    [DOI]
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    Bende, A., Diudea, M. V. (2013): Chapter 6: Energetics of Multi-shell Cages. — in: Diudea, M. V., Nagy, Cs. L. (szerk.): Diamond and Related Nanostructures. Carbon Materials: Chemistry and Physics, Volume 6, Pages: 107-119, Springer Netherlands ISBN:978-94-007-6370-8. 

    [DOI]
  • > Vizitiu, A. E., Diudea, M. V., Beu, T. A., Bende, A. (2011): Fullerene aromaticity by circulene-flower coverings. — in: Putz, M.V. (szerk.): Advances in Chemical Modeling, Nova Science Publisher, New York, Inc. ISBN: 978-1-61209-028-3. (in press). [pdf, 1276.3k]
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    Bende, A. (2010): Chapter 8: Anharmonic effects in normal mode vibrations: their role in biological systems. — in: Putz, M.V. (szerk.): Quantum Frontiers of Atoms and Molecules, Nova Science Publisher, New York, Inc. ISBN: 978-1-61668-158-6, pp: 167—201.

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