• Könyvfejezetek
• Tudományos tanulmányok

Könyvfejezetek

• > 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]
• > 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.

Tudományos tanulmányok

• > 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. [pdf, 211.6k]
• > Bende, A., Almásy, L. (2011): Weakly bonded cluster structures of N,N'-dimethylethyleneurea and water. — Journal of Molecular Liquids (elfogadva). IF: 1,278
• > 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. [pdf, 297.3k]
• > 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 (in press). IF: 2,336. [pdf, 341.5k]
• > 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. [pdf, 913.1k]
• > 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. [pdf, 1737.9k]
• > 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. [pdf, 2041k]
• > 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. [pdf, 664.5k]
• > 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. [pdf, 4553k]
• > 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. [pdf, 696.7k]
• > 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. [pdf, 731.1k]
• > 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. [pdf, 291k]
• > 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. [pdf, 195.6k]
• > Bende, A., Turcu, I. (2009): Molecular modeling of the weakly bounded dimers of some phenothiazine derivatives. — Journal of Physics: Conference Series 182: 012001. [pdf, 1066.1k]
• > 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. [pdf, 1158k]
• > 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. [pdf, 3520.1k]
• > 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. [pdf, 601.4k]
• > 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. [pdf, 830k]
• > 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. [pdf, 279.5k]
• > 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]
• > 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. [pdf, 177.8k]
• > 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. [pdf, 582.5k]
• > 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]
• > 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.
• > 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. [pdf, 445.9k]
• > 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. [pdf, 221.7k]
• > 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. (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]
• > 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. [pdf, 140.3k]
• > 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]
• > 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. [pdf, 202.4k]
• > 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]
• > 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. [pdf, 130.5k]
• > 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]
• > 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]
• > 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. [pdf, 108.3k]
• > 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., 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., 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. [pdf, 113.7k]
• > Bende, A., Toşa, V. (1999): A Model for Infrared Multiple Photon Excitation of CF2HCl. — Roumanian Reports in Physics 51: 917—922. [pdf, 3950.2k]
• > Hamza, A., Bende, A. (1997): (SF6)n- Arm Cluster Structures. — STUDIA UBB Physica 42(2): 55—65.