Mihaela Vlassa and A. Bende: "Theoretical investigation of polymer chain stability in the metal coordinated
azorubine and cyclam complex", Chemical Physics, (2015). - accepted
A. Bende and V. Toşa: "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 (2015).
A. Woiczechowski-Pop, D. Gligor, A. Bende, C. Varodi, E. Bogdan, A. Terec, I. Grosu: "Synthesis, structure,
electrochemical behaviour and electrochemical investigations on the assembling with pyrene of a novel C3 cryptand", Supramolecular
Chemistry, 27(1-2), 52 - 58 (2015).
A. Csehi, A. Bende, G. J. Halász, A. Vibók, A. Das, D. Mukhopadhyayd, S. Mukherjee, S. Adhikarie, and M. Baer:
"Dressed Adiabatic and Diabatic Potentials to study Topological Effects for F + H2 System", Journal of Physical Chemistry A, 118(33), 6361
- 6366 (2014).
J. Ladik, A. Bende: "Quantum Molecular Biological Investigation of the Onset of Cancer",
International Journal of Quantum Chemistry, 114(18), 1229 - 1235 (2014).
T. M. Di Palma, A. Bende: "Tautomerism and proton transfer in photoionized acetaldehyde and
acetaldehyde-water clusters", Journal of Mass Spectrometry, 49(8), 700 - 708 (2014).
F. Bogár, A. Bende, J. Ladik: "Influence of the sequence on the ab initio band structures
of single and double stranded DNA models", Physics Letters A, 378, 2157 - 2162 (2014).
A. Bende and C. M. Muntean: "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), Article №: 2113, (2014).
M. V. Diudea, Cs. L. Nagy and A. Bende: "Carbon multi-shell cages", Physical Chemistry Chemical Physics,
16(11), 5260 - 5269 (2014).
A. Bende: "Low-lying excited-states and relaxation pathways of acetophenone", AIP Conf. Proc.,
1565, 24 - 28 (2013).
A. Csehi, A. Bende, G. J. Halász, A. Vibók, A. Das, D. Mukhopadhyayd, S. Mukherjee, S. Adhikarie, and M. Baer:
"Dressed Adiabatic and Diabatic Potentials for the Renner-Teller/ Jahn-Teller F + H2 System", Journal of Physical Chemistry A, 117(36),
8497 - 8505 (2013).
J. Liebscher, R. Mrówczyński, H. A. Scheidt, C. Filip, N. D. Hădade, R. Turcu, A. Bende, S. Beck:
"The Structure of Polydopamine - a Never Ending Story?", Langmuir, 29(33), 10539 - 10548 (2013).
M. Micciarelli, C. Altucci, B. Della Ventura, R. Velotta, V. Toşa, A. B. Gónzalez Pérez, M. Pérez
Rodríguez, Á. R. de Lera, and A. Bende: "Low-lying excited-states of 5-benzyluracil", Physical Chemistry Chemical Physics,
15, 7161 - 7173 (2013).
A. Bende, F. Bogár and J. Ladik: "Hole mobilities of periodic models of DNA double helices in the
nucleosomes at different temperatures",Chemical Physics Letters, 565, 128 - 131 (2013).
T. M. Di Palma and A. Bende: "Vacuum Ultraviolet Photoionization and ab initio Investigations of Methyl Tert-Butyl
Ether (MTBE) Clusters and MTBE - Water Clusters", Chemical Physics Letters, 561-562, 18 - 23 (2013).
A. Csehi, A. Bende, G. J. Halász, A. Vibók, A. Das, D. Mukhopadhyay and M. Baer: "A tri-atomic
Renner-Teller system entangled with Jahn-Teller conical intersections", Journal of Chemical Physics, 138(02), Article №: 024113
(2013).
M. V. Diudea, Cs. L. Nagy and A. Bende: "On Diamond D5", Structural Chemistry, 23(4), 981 - 986
(2012).
V. Boldescu, I. Bratu, Gh. Borodi, I. Kacsó, A. Bende, Gh. Duca, F. Macaev, S. Pogrebnoi, Z. Ribkovskaia: "Study of binary systems of β-cyclodextrin
with a highly potential anti-mycobacterial drug", Journal of Inclusion Phenomena and Macrocyclic Chemistry, 74, 129 - 135 (2012).
O. Bradea, I. Kacso, Gh. Borodi, A. Bende and I. Bratu: "Complexation of Amlodipine Besylate with β-Cyclodextrin", Acta Chim. Slov., 59, 18 - 23
(2012).
S. Dreve, I. Kacsó, A. Popa, O. Raita, A. Bende, Gh. Borodi and I. Bratu: "Chitosan-Based Nanocarriers For Antimalarials", AIP Conf. Proc., 1425,
17 - 21 (2012).
A. Bende and C. M. Muntean: "Solvent effect on the anharmonic vibrational frequencies in guanine-cytosine
base pair", AIP Conf. Proc., 1425, 5 - 8
(2012).
A. Bende, F. Bogár and J. Ladik: "Possible role of Cl¯ ions in DNA-protein interactions in the nucleosomes", Chemical Physics Letters, 525
- 526, 115 - 119 (2012).
A. Bende, D. Bogdan, C. M. Muntean and C. Morari: "Localization and anharmonicity of the vibrational
modes for the GC Watson-Crick and Hoogsteen base pairs", Journal of Molecular Modeling, 17(12), 3265 - 3274 (2011).
A. Bende and L. Almásy: "Ab initio study of mixed clusters of water and N,N.-dimethylethyleneurea", Ukranian Journal of Physics,
8, 796 - 800 (2011).
A. Bende and L. Almásy: "Weakly bonded cluster structures of N,N'-dimethylethyleneurea and water" Journal of Molecular
Liquids, 162(2), 45 - 49 (2011).
S. Dreve, I. Kacsó, A. Popa, O. Raita, F. Dragan, A. Bende, Gh. Borodi and I. Bratu: "Structural Investigation of Chitosan-based
Microspheres with some Anti Inflammatory Drugs", Journal of Molecular Structure, 997(1-3), 78-86 (2011).
A. Bende and I. Turcu: "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, (2011).
L. Almásy and A. Bende: "Ab initio structures of interacting methylene chloride molecules with
comparison to the liquid phase", Journal of Molecular Liquids, 158(3), 205 - 207 (2011).
A. Bende, F. Bogár and J. Ladik: "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 (2011).
A. Bende, I. Grosu and I. Turcu: "Molecular Modeling of Phenothiazine Derivatives: Self-Assembling Properties", Journal of Physical Chemistry A, 114(47), 12479 -
12489 (2010).
T. M. Di Palma, A. Bende and A. Borghese: "Photoionisation and Structures of Jet-Formed Toluene Clusters", Chemical Physics
Letters, 495(1-3), 017 - 023 (2010).
M. V. Diudea, A. Bende and D. Janežič: "Omega polynomial in diamond-like networks", Fullerenes,
Nanotubes and Carbon Nanostructures, 18(3), 236 - 243 (2010). Times cited: 1.
A. Bende, F. Bogár, F. Beleznay and J. Ladik: "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 (2010).
A. Bende: "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 (2010). Times cited: 2.
J. Ladik, A. Bende and F. Bogár: "Charge Transfer between DNA and
Proteins in the Nucleosomes", Theoretical Chemistry Accounts, 125(3-6), 185 - 191 (2010).
A. Bende and I. Turcu: "Molecular modeling of the weakly bounded dimers of some phenothiazine
derivatives", Journal of Physics: Conference Series, 182, 012001 (2009). Times cited: 1.
M. V. Diudea, A. E. Vizitiu, T. A. Beu, A. Bende, Cs. L. Nagy and D. Janežič:
"Circulene covered fullerenes", Journal of Molecular Structure: THEOCHEM, 904, 28 - 34
(2009).
N. Toşa, A. Bende, R. A. Varga, A. Terec, I. Bratu and I. Grosu: "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 (2009).
A. Bende, F. Bogár and J. Ladik: "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 (2009). Times cited: 1.
A. Bende, F. Bogár, F. Beleznay and J. Ladik: "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), Article №: 061923 (2008). Times cited: 2.
A. Bende and L. Almásy: "Weak intermolecular bonding in
N,N'-dimethylethyleneurea dimers and N,N'- dimethylethyleneurea - water systems: The role of the dispersion effects in
intermolecular interaction", Chemical Physics, 354(1-3), 202 - 210 (2008) Times cited:
4.
A. Bende, F. Bogár and J. Ladik:
"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 (2008). Times cited: 4.
F. Fărcaş, G. Popeneciu, A. Bende, C. Morari, S. Belov and L. Miclea: "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, Article №: 4588941, Pages 343-346 (2008). Times cited: 1.
A. E. Vizitiu, M. V. Diudea, T. A. Beu, A. Bende: "Fullerene
Aromaticity by Circulene-Flower Coverings", International Journal of Chemical Modeling,
1(1), 7-14 (2008).
A. Nan, I. Crăciunescu, A. Bende, R. Turcu, D. Reichert and J. Liebscher:
"Chemical Preparation of Functionalized Polypyrrole", Journal of Nanostructured Polymers and
Nanocomposites, 4(1), 3 (2008).
J. Ladik, A. Bende, and F. Bogár: "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 (2008). Times cited: 13.
J. Ladik, A. Bende, and F. Bogár: "Calculation of the
band structure of polyguanilic acid in the presence of water and Na+ ions", Journal of
Chemical Physics, 127, 055102 (2007). Times cited: 10.
A. Bende, F. Bogár and J. Ladik: "Charge Transfer between
the PO4¯ groups of DNA and the arginine+ and lysine+ side chains
of proteins", Chemical Physics Letters, 437, 117 - 119, (2007). Times cited: 8.
V.V. Morariu, O. Zainea, A. Bende and O. Popescu: "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 (2006).
A. Bende and V. Toşa: "IR Multiphoton
Absorption Spectra of Some Freon Molecules Used in 13C Isotope
Separation", Asian Journal of Physics, 15(2), 275 - 281 (2005).
A. Bende and S. Suhai: "H-Bond Vibrations
in Ammonia - Ammonia and Ammonia - Water Dimers", Acta Physica et Chimica Debrecina, XXXVIII - XXXIX, 55 - 69 (2005).
N. Toşa, A.Bende, I. Bratu and I. Grosu:
"Theoretical Modeling and Experimetal Study of Intramolecular Hydrogen-bond in Tetramethyl 3,7 -
dihydroxybicyclo[3.3.1]nona-2,6 - diene - 2,4,6,8 - tetracarboxylate", Studia Chemia, L(2)
157-162 (2005).
V. Toşa, A.Bende, T. D. Silipas, H. T. Kim and C.
H. Nam: "Modelling Plasma Fluorescence Induced by Femtosecond Pulse Propagation in Ionizing
Gases", Romanian Journal of Physics, 50(7-8) 741-748 (2005).
A. Bende and S. Suhai: "BSSE-corrected
geometry, harmonic and anharmonic vibrational frequencies of formamide-water and formamid-formamide
dimers", International Journal of Quantum Chemistry, 103(6), 841-853 (2005). Times
cited: 22.
A. Bende, Á. Vibók, G. J.
Halász and S. Suhai: "Theoretical Study of Hydrogen Bonds between Acetylene and Selected Proton
Donor Systems", International Journal of Quantum Chemistry, 101(2), 186-200
(2005). Times cited: 2.
N. Toşa, A.Bende, S. Cântă-Pânzaru,
I. Grosu and E. Surducan, "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 (2004). Times cited: 1
A. Bende and V. Toşa, "Geometrical
Structure and IR Multiphoton Excitation Spectra of SiF2H2. A
theoretical study", Acta Physica et Chimica Debrecina, XXXVII, 51-68 (2004). Times
cited: 1
A. Bende, Á. Vibók, G. J.
Halász and S. Suhai: "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 (2004). Times cited: 8.
A. Bende and V. Toşa: "Ab Initio
Density Functional Study of CF2HCl and its isotopic species", STUDIA
(physica) UBB Cluj-Napoca, Special Issue 2, XLVIII, 453 - 456 (2003). Times cited: 1
A. Bende, Á. Vibók, G. J.
Halász and S. Suhai: "Ab initio Study of the Ammonia - Water Dimer. BSSE-free Structures and
Intermolecular Harmonic Vibrational Frequencies", Acta Physica et Chimica Debrecina XXXVI,
7-23 (2003). Times cited: 1.
A. Bende, M. Knapp-Mohammady and S. Suhai:
"BSSE-free Description of Intermolecular Force Constants in Hydrogen Fluoride and Water
Dimers", International Journal of Quantum Chemistry, 92(2), 152 - 159 (2003). Times
cited: 11.
A. Bende, Á. Vibók, G. J.
Halász and S. Suhai: "BSSE-free Description of the Formamide Dimers", International
Journal of Quantum Chemistry, 84, 617-622 (2001). Times cited : 14.
A. Bende and V. Toşa: "A Model for
Infrared Multiple Photon Excitation of CF2HCl", Roumanian Reports in Physics,
51, 917-922 (1999). Times cited: 3.
A. Hamza and A. Bende: "(SF6)2-
Arm Cluster Structures", STUDIA (physica) UBB Cluj-Napoca, XLII(2), 55-65 (1997).
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