Former and present students
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Student research conference (1996)
Joint papers:
1. I. Macsári, V. Izvekov, A. Kovács: Scaled quantum mechanical study of 2,6-difluorophenol, a fluorine containing weak hydrogen-bonded system. Chemical Physics Letters, 269 (1997) 393-400.
2. A. Kovács, I. Macsári, I. Hargittai: Intramolecular hydrogen bonding in fluorophenol derivatives: 2-fluorophenol, 2,6-difluorophenol and 2,3,5,6-tetrafluorohydroquinone. The Journal of Physical Chemistry A, 103 (1999) 3110-3114. (Abstract)
Presently: has a job in Sweden
Student research conference (1996)
Diplom thesis (1997, consultant)
Joint papers:
1. G. Szász, A. Kovács, I. Hargittai, I. Jeon, G.P. Miller: Molecular structure and molecular vibrations of 1,3,5,7-tetramethyl-2,4,6,8,9,10-hexathiaadamantane. The Journal of Physical Chemistry A, 102 (1998) 484.
2. G. Szász, A. Kovács: Investigation of the DFT-Derived Scaled Quantum Mechanical Method for Cage-Like Systems. The Vibrational Analysis of Adamantane. Molecular Physics, 96 (1999) 161-167. (Abstract)
Presently: works in an analytical laboratory
Student research conference: 3rd price (1998)
Diplom thesis (1999)
Ph.D. (2002)
Joint papers:
1. A. Kovács, A. Szabó: Comparison of ab initio and density functional methods for TeF6. Chemical Physics Letters, 305 (1999) 458-464. (Abstract)
2. A. Szabó, A. Kovács: Hydrogen bonding and molecular vibrations of 2,5-dihydroxy-1,4-benzoquinone. Journal of Molecular Structure, 510 (1999) 215-225.
3. A. Kovács, A. Szabó: Vibrational analysis of perfluoroadamantane. Journal of Molecular Structure, 519 (2000) 13-19.
4. A. Szabó, V.I. Češljević, A. Kovács: Tautomerism, hydrogen bonding and vibrational properties of 4-acetyl-3(5)-amino-5(3)-methylpyrazole. Chemical Physics, 270 (2001) 67-78. (Abstract)
5. A. Kovács, A. Szabó, D. Nemcsok, I. Hargittai: Blue-shifting C–H…O (X=O, halogen) hydrogen bonds in the dimers of formaldehyde derivatives. The Journal of Physical Chemistry A, 106 (2002) 5671-5678. (Abstract)
6. A.
Kovács, A. Szabó,
7. G. Keglevich, J. Kovács, Á. Szöllösy, A. Kovács, A. Szabó, K. Ludányi, I. Kádas, L. Töke: Unexpected condensation reaction of two units of 1,2-dihydrophosphinine 1-oxides in the presence of tetracyanoethylene. Heteroatom Chemistry, 14 (2003) 29-35.
8. A. Szabó, A. Kovács: Structure and Molecular Vibrations of Dimethylglioxime. Journal of Molecular Structure, 651-653 (2003) 615-619.
9. A. Szabó, A. Kovács: Vibrational analysis of the bis(dimethylglyoximato)nickel(II) complex. Journal of Molecular Structure, 651-653 (2003) 547-553.
10. M. Lein, A. Szabó, A. Kovács, G. Frenking: Energy decomposition analysis of the chemical bond in main group and transition metal compounds. Faraday Discussions, 124 (2003) 365-378. (Abstract)
11. A.
Szabó, A. Kovács, G. Frenking: Theoretical studies of
inorganic compounds. 34. Energy decomposition analysis of E-E bonding in planar
and perpendicular X2E-EX2 (E=B,
Present position: head of department at Richter Zrt.
Student research conference (2003)
Diplom thesis (2004)
Joint papers:
1. B. Nyerges, A. Kovács: Density Functional Study of the Conformational Space of 4C1 D-Glucuronic Acid. The Journal of Physical Chemistry A, 109 (2005) 892-897. (Abstract)
Presently: works in the analytical laboratory of the Ministry of Interior
Student research conference: 2nd price (2003)
Diplom thesis (2004)
Joint papers:
1. V. Horváth, Z. Varga, A. Kovács: Long-Range Effects in Oligopeptides. A Theoretical Study of the b-Sheet Structure of Glyn (n = 2 - 10). The Journal of Physical Chemistry A, 108 (2004) 6869-6873. (Abstract)
2. Z. Varga, A. Kovács: Hydrogen bonding in peptide secondary structures. International Journal of Quantum Chemistry, 105 (2005) 302-312. (Abstract)
3. V. Horváth, Z. Varga, A. Kovács: Substituent effects on long-range interactions in the b-sheet structure of oligopetides. Journal of Molecular Structure (Theochem), 755 (2005) 247-251
4. A. Kovács, Z. Varga: Halogen acceptors in hydrogen bonding. Coordination Chemistry Reviews, 250 (2006) 710-727. (Abstract)
Presently: works on his Ph.D. under supervision of Prof. M. Hargittai
Student research conference: 3rd price (2001)
Diplom thesis (2003)
Ph.D. (2008??)
Joint papers:
1. A. Kovács, A. Szabó, D. Nemcsok, I. Hargittai: Blue-shifting C–H…O (X=O, halogen) hydrogen bonds in the dimers of formaldehyde derivatives. The Journal of Physical Chemistry A, 106 (2002) 5671-5678. (Abstract)
2. D.S. Nemcsok, A. Kovács, V.M. Rayón, G. Frenking: Nature of the Transition Metal-(h2-H2) Bond in TM(CO)3X2(h2-H2) (TM = Cr, Mo, W; X = CO, PH3, PCl3, PMe3) Complexes. Organometallics, 21 (2002) 5803-5809. (Abstract)
3. A. Kovács, R.J.M. Konings, D.S. Nemcsok: Thermodynamic properties of PaF5 and PaCl5 based on quantum chemical calculations. Journal of Alloys and Compounds, 353 (2003) 128-132.
4. A. Kovács, D. Nemcsok, G. Pokol, K. Mészáros Szécsényi, V. M. Leovac, Ž. K. Jaćimović, I. R. Evans, J. A. K. Howard, Z. D. Tomić, G. Giester: Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L. New Journal of Chemistry, 29 (2005) 833-840. (Abstract)
5. D. Nemcsok, A. Kovács, K. Mészáros-Szécsényi, V. M. Leovac: Vibrational spectroscopic and theoretical study of 3,5-dimethyl-1-thiocarboxamide pyrazole (L) and the complexes Co2L2Cl4, Cu2L2Cl4 and Cu2L2Br2. Chemical Physics, 328 (2006) 85-92. (Abstract)
Presently: has a job in the Ministry of Environmental Protection
Ph.D. (2007, consulant)
Joint papers:
1. V.
Horváth, A. Kovács, I. Hargittai: Structural aspects of
donor-acceptor interactions. The Journal of Physical Chemistry A, 107
(2003) 1197-1202
2. V. Horváth, Z. Varga, A. Kovács: Long-Range Effects in Oligopeptides. A Theoretical Study of the b-Sheet Structure of Glyn (n = 2 - 10). The Journal of Physical Chemistry A, 108 (2004) 6869-6873. (Abstract)
3. V. Horváth, Z. Varga, A. Kovács: Substituent effects on long-range interactions in the b-sheet structure of oligopetides. Journal of Molecular Structure (Theochem), 755 (2005) 247-251
4. V. Horváth, A. Kovács, D.K. Menyhárd: Conformational studies on the prion protein 115-122 fragment. Journal of Molecular Structure (Theochem), 804 (2007) 9-15
Presently: prepares for the defense of her Ph.D.
Joint paper:
1. B. Nyulasi, A. Kovács: Theoretical study of F-–(H2)n and Cl-–(H2)n (n = 1-8) anion complexes. Chemical Physics Letters, 426 (2006) 26-29. (Abstract)
Presently: finds more excitement in preparative organic chemistry
Joint paper:
1. P. Pogány, A. Kovács, K. Mészáros Szécsényi, V. M. Leovac: FT-IR and theoretical study of 3,5-dimethyl-1H-pyrazole-1-carboxamidine (L) and the complexes CoL2(H2O)2(NO3)2 and NiL2(H2O)2(NO3)2. Spectrochimica Acta A, 71 (2008) 1466-1473. (Abstract)
He is working now on his M.Sc. thesis: conformational properties of hyaluronic acid fragments. Our preliminary results:
Joint paper:
1. B. Krámos, A. Kovács: Metal-Ligand Interactions in Fe(II)-Dioxime Complexes. Journal of Molecular Structure (Theochem), 867 (2008) 1-4.