Book
chapter:
R.J.M.
Konings, A. Kovács: Thermodynamic properties of the
lanthanide(III) halides. Handbook on Physics and Chemistry of Rare Earth,
Chapter 213, K. A. Gschneidner, Jr., J.-C. G. Bünzli, V. K. Pecharsky,
Eds., Elsevier,
Scientific
papers:
1. A.
Kovács, G. Tóth,
2. G.
Tóth, A. Kovács, M. Balogh,
3. G.
Doleshall, P. Seres, A. Kovács: Preparation of g-substituted b-oxoesters with a new heterocyclic
synthon. Journal of Chemical Research (S), (1991) 27.
4. Gy.
Keglevich, A. Kovács, K. Újszászi, G. Tóth,
L. Tőke: The Formation of the Benzo
5. G.
Tóth, A. Kovács, I. Bitter, H. Duddeck: Condensation of
1,3-dichlorotri-methinecyanines with 1,3- and 1,2-dinucleophiles. Liebigs
Annalen der Chemie, (1991) 1215-1219.
6. Keglevich
Gy., Tőke L., Kovács A., Tóth G.,
Újszászy K.: Foszfortartalmú heterociklusok
gyűrűtranszformációi, VIII. A benzo
7. G.
Tóth, A. Kovács, Gy. Keglevich, H. Duddeck: Conformational
studies of benzophosphabi-cyclooctenes. Magnetic Resonance in Chemistry,
30 (1992) 449-454.
8. Tóth
G., Kovács A.,
9. Gy.
Keglevich, A. Kovács, K. Újszászi, A. Tungler, G.
Tóth, L. Tőke: Facile synthesis of 1,2,3,4,5,6-hexahydrophosphinine
1-oxides by the hydrogenation of 1,2-dihydrophosphinine 1-oxides. Phosphorus,
Sulfur, and Silicon, 70 (1992) 219-227.
10. G.
Tóth, A. Kovács, T. Tarnai, A. Tungler: Stereochemistry of
the enantioselective reductive alky-lation of proline with ketones. Tetrahedron
Asymmetry, 4 (1993) 331-8.
11. Gy.
Keglevich, K. Újszászi, A. Kovács, L. Tőke: A
new approach to phosphinines by three-step aromatization of
1-ethoxy-1,2-dihydrophosphinine 1 oxides. Journal of Organic Chemistry,
58 (1993) 977-8.
12. Gy.
Keglevich, L. Tőke, A. Kovács, G. Tóth, K.
Újszászi: Convenient Synthesis of 1-Alkoxy-3,5-dimethyl-1,2- and
1,4-Dihydrophosphinine 1-Oxides and 1-Alkoxy-1,2,3,6-tetrahydrophosphinine
1-Oxides by Ring Enlargement. Heteroatom Chemistry, 4 (1993) 61-72.
13. Keglevich,
Gy., Tôke, L., Tungler, A., Kovács, A., Tóth, G.,
Újszászi, K. Foszfortartalmú hetero-ciklusok
gyûrûtranszformációi, IX.
1,2,3,4,5,6-Hexahidrofoszfinin-1-oxidok egyszerû
elôállítása 1,2-dihidrofoszfinin-1-oxidok
hidrogénezésével. Magyar Kémiai Folyóirat,
99 (1993) 100-6.
14. Gy.
Keglevich, L. Tôke, A. Kovács, K. Újszászi,
G. Tóth: Synthesis of phosphinines and its satu-rated derivatives: di-,
tetra- and hexahydrophosphinine oxides. Phosphorus, Sulfur, and Silicon,
75 (1993) 115-8.
15. L. Tőke,
Gy. Keglevich, A. Kovács, K. Újszászi, G.
Tóth: The stereostructure of benzo
16. Keglevich
Gy., Tôke L., Veress J., Kovács A., Tóth G.,
Újszászi K.: Foszfortartalmú hetero-ciklusok
gyûrûtranszformációi, X. 1-Alkoxi-di- és
tetrahidrofoszfinin-1-oxidok kényelmes szintézise
gyûrûbôvítéssel. Magyar Kémiai
Folyóirat, 99 (1993) 135-146.
17. Tóth
G., Kovács A., Tarnai T., Tungler A.: A prolin ketonokkal
történô enantioszelektív reduktív
alkilezésének sztereokémiája. Magyar
Kémiai Folyóirat, 99 (1993) 242-6.
18. Gy.
Keglevich, A. Kovács, L. Tôke, K. Újszászi,
Gy. Argay, M. Czugler, A. Kálmán: P-Substituted 3-phosphabicyclo
19. T. Nagy, L.
Szabó, A. Kovács, G. Tóth, Gy. Kalaus, Cs.
Szántay: Synthesis of vinca alkaloids and related compounds LXVII.
Structure of a previously described spiro-indolo-quinolizidine derivative. Natural
Product Letters, 3 (1993) 257-264.
20. Keglevich
Gy., Tőke L., Újszászi K., Kovács, A.:
Foszfortartalmú hetero-ciklusok gyûrûtranszformációi,
XI. Foszfininek szintézise 1-etoxi-1,2-dihidrofoszfinin-1-oxidok
háromlépéses aromatizálásával. Magyar
Kémiai Folyóirat, 99 (1993) 516-9.
21. G. Makara,
Gy. M. Keserű, A. Kovács: On the mechanism of the alkylation
of quinoline and naphthyridine carboxylic acids. Journal of the Chemical
Society, Perkin Transactions II, (1994) 591-4.
22. Keglevich
Gy., Tőke L., Kovács A., Újszászi K., Argay
Gy., Czugler M., Kálmán A.: Foszfortartalmú heterociklusok
gyûrûtranszformációi, XII. Foszforatomon
helyettesített foszfabiciklo
23. Gy.
Keglevich, A. Kovács, and L. Tôke: 3J(P,C)
Couplings in 3-phosphabicyclo
24. Gy.M.
Keserü, M. Nógrádi, A. Kovács, U. Himmelreich:
Conformation of 6H,12H,18H-tribenzo
25. A.
Kovács, R.J.M. Konings, A.S. Booij, and Gy.M. Keserü: The
infrared spectrum of BI3(g). Vibrational Spectroscopy, 9
(1995) 209-214.
26. Szabó
M., Kökösi J., Kovács A., Ôrfi L.:
Potenciális CCK-antagonista kinazolon-származékok
szintézise II. Acta Pharmaceutica Hungarica, 65 (1995) 175-181.
27. A.
Kovács, R.J.M. Konings, and A.S. Booij: High-temperature infrared
spectra of rare earth
28. L. Tőke,
Gy. Keglevich, A. Kovács: 3J(P,C) couplings in
3-phosphabicyclo
29. R.J.M.
Konings, A.S. Booij, A Kovács, G.V. Girichev, N.I. Giricheva,
O.G. Krasnova: The infrared spectrum and molecular structure of gaseous UF4.
Journal of Molecular Structure, 378 (1996) 121-131.
30. Szabó
M., Őrfi L., Kökösi J.,
31. A.
Kovács, A.S. Booij, E.H.P. Cordfunke, A. Kok-Scheele, R.J.M.
Konings: On the fusion and vaporization behaviour of UCl3. Journal
of Alloys and Compounds, 241 (1996) 95-97.
32. A.
Kovács, I. Kolossváry, G.I. Csonka, I. Hargittai: Theoretical
study of intramolecular hydrogen bonding and molecular geometry of
2-trifluoromethylphenol. Journal of Computational Chemistry, 17 (1996)
1804-1819.
33. A.
Kovács, K.-G. Martinsen, R.J.M. Konings: The gas-phase vibrational
spectrum and molecular geometry of TeCl4. Journal of the Chemical
Society,
34. A.
Kovács, A.S. Booij, R.J.M. Konings: High-temperature infrared
spectra of LaCl3, LaBr3 and LaI3. Chemical
Physics Letters, 268 (1997) 207-212.
35. M.
Szabó, J. Kökösi, L. Őrfi, A. Kovács, I.
Hermecz: Nitrogen bridgehead compounds. Part 88
36. A.
Kovács, I. Hargittai: Hydrogen-bonding interactions of the
trifluoromethyl group: 2-trifluoromethylvinyl alcohol. International Journal
of Quantum Chemistry, 62 (1997) 645-652.
37. 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.
38. K.
Mészáros Szécsényi, V.M. Leovac, E.Z. Ivegeš,
L. Arman, A. Kovács, G. Pokol, S. Gál: Transition metal
complexes with thiosemicarbazide-based ligands. Part 30. Synthesis, characterization
and thermal decomposition of Mo(V,VI) complexes with salicylaldehyde
S-methylisothiosemicarbazone. Thermochimica Acta, 291 (1997) 101-108.
39. A.
Kovács, V. Izvekov: FT-IR investigation of N,N-dimethylcarbamyl
chloride. Journal of Molecular Structure, 410-411 (1997) 403-406.
40. A.
Kovács, R.J.M. Konings: Vibrational spectra of TeCl4 and
TeCl2. Journal of Molecular Structure, 410-411 (1997)
407-410.
41. A.
Kovács, R.J.M. Konings: High-temperature infrared spectra of rare
earth trihalides II. Re-interpretation of the infrared spectra of CeCl3,
NdCl3, SmCl3, GdCl3, DyCl3 using ab
initio molecular orbital calculations. Vibrational Spectroscopy, 15
(1997) 131-135.
42. A.
Kovács, G.I. Csonka: Vibrational analysis of TeCl4. II. A
Hartree-Fock, MP2 and density functional study. International Journal of
Quantum Chemistry, 65 (1997) 817-826.
43. M.
Szabó, J. Kökösi, A. Kovács, Zs. Böcskei,
I. Hermecz: Stereoselective synthesis of 4,5-substituted 2-pyrrolidone
derivatives of quinazolin-4(3H)-one. Heterocycles, 45 (1997) 2437-2442.
44. A.
Kovács, K.B. Borisenko, G. Pongor: Investigation of the Density
Functional Theory (DFT)-Derived Scaled Quantum Mechanical (SQM) Force Field
Method for a Weakly Bonded System: A Priori SQM DFT-Derived Force Field and
Vibrational Spectra for N2O4. Chemical Physics Letters,
280 (1997) 451-458.
45. 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.
46. A.
Kovács: Kvantumkémiai számítások
néhány alkalmazása a szerkezetkutatásban. Magyar
Kémiai Folyóirat - Kémiai Közlemények, (1)
(1998) 41-42.
47. A.
Kovács: Selected applications of quantum chemical calculations in
structural chemistry. Magyar Kémiai Folyóirat - Kémiai
Közlemények, (1) (1998) 42-43.
48. A.
Kovács, G.I. Csonka, Gy. M. Keserû: Comparison of ab initio
and density functional methods for the vibrational analysis of TeCl4.
Journal of Computational Chemistry, 19 (1998) 308-318.
49. I.F.
Shishkov, L.V. Vilkov, A. Kovács, I. Hargittai: Molecular
geometry of 2-nitrotoluene from gas-phase electron diffraction and quantum
chemical study. Journal of Molecular Structure, 445 (1998) 259-268.
50. A.
Kovács,
51. K.
Mészáros Szécsényi, V.M. Leovac, E.Z. Iveges, Lj.S.
Vojinovic, A. Kovács, G. Pokol, J. Madarász, Z.K.
Jacimovic: Transition metal complexes with pyrazole-based ligands. Synthesis,
characterization and thermal decomposition of cadmium complexes with
3(5)-amino-5(3)-methylpyrazole. Thermochimica Acta, 316 (1998) 79-85.
52. R.J.M.
Konings, A.S. Booij, A. Kovács: The infrared spectra of SeO2
and TeO2 in the gas phase. Chemical Physics Letters, 292
(1998) 447-453.
53. A.
Kovács, V. Izvekov, G. Keresztury, G. Pongor: Vibrational analysis
of 2-nitrophenol. A joint FT-IR, FT-Raman and scaled quantum mechanical study. Chemical
Physics, 238 (1998) 231-243.
54. A.
Kovács, I. Hargittai: Hydrogen Bonding in
2-Trifluoromethylresorcinol and 2,6-Bis(trifluoromethyl)-phenol and Its
Geometrical Consequences. Journal of Molecular Structure (THEOCHEM), 455
(1998) 229-238.
55. 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)
56. A.
Kovács, G. Frenking: Bonding interactions of a molecular pair of
tweezers with transition metals. Theoretical study of bis(h2-alkyne) complexes of copper (I), silver (I)
and gold (I). Organometallics, 18 (1999) 887-894. (Abstract)
57. 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)
58. A.
Kovács, A. Szabó: Comparison of ab initio and density
functional methods for TeF6. Chemical Physics Letters, 305
(1999) 458-464. (Abstract)
59. A.
Kovács: Vibrational analysis of 3-methylpyridine. Journal of
Molecular Structure, 482-483 (1999) 397-401.
60. A.
Kovács: Molecular vibrations of rare earths trihalide dimers M2X6
(M=Ce, Dy; X=Br, I). Journal of Molecular Structure, 482-483 (1999)
403-407.
61. A.
Szabó, A. Kovács: Hydrogen bonding and molecular
vibrations of 2,5-dihydroxy-1,4-benzoquinone. Journal of Molecular Structure,
510 (1999) 215-225.
62. K.
Mészáros-Szécsényi, E. Z. Iveges, V. M. Leovac, A.
Kovács, G. Pokol, Z. K. Jacimovic: Transition metal complexes with
pyrazol-based ligands. 7. Zn(II), Co(II), Mn(II) and Cu(II) complexes with
3-amino-5-methylpyrazole. Journal of Thermal Analysis and Calorimetry,
56 (1999) 493-501.
63. Cs.
Várhelyi, J. Zsakó, G. Liptai, A. Dobó, A.
Kovács, L. Feldiorean: On the oxime complexes of transition metals.
Part CXIV. New mixed sulfito-cobalt(III)-complexes with alicyclic a-dioximes. Periodica Polytechnica
Ser. Chem. Eng., 43 (1999) 51-64.
64. A.
Kovács, A. Szabó: Vibrational analysis of
perfluoroadamantane. Journal of Molecular Structure, 519 (2000) 13-19.
65. A.
Kovács, G. Keresztury, V. Izvekov: Intramolecular hydrogen bonding
in 2-nitrorezorcinol. A combined FT-IR, FT-Raman and computational study. Chemical
Physics, 253 (2000) 193-204. (Abstract)
66. A.
Kovács: Theoretical study of rare earth trihalide dimers Ln2X6
(Ln=La, Dy; X=F, Cl, Br, I). Chemical Physics Letters, 319 (2000)
238-246. (Abstract)
67. A.
Kovács, I. Hargittai: Theoretical investigation of the additivity of
structural substituent effects in benzene derivatives. Structural Chemistry,
11 (2000) 193-201.
68. P. Groen, A.
Oskam, A. Kovács: Theoretical study of mixed LiCeX4
(X=F, Cl, Br, I) rare earth/alkali halide complexes. Journal of Molecular
Structure (Theochem), 531 (2000) 23-31.
69. P. Groen, A.
Oskam, A. Kovács: Theoretical study of mixed LiLnX4
(Ln=La, Dy; X=F, Cl, Br, I) rare earth/alkali halide complexes. Inorganic
Chemistry, 39 (2000) 6001-6008. (Abstract)
70. Cs.
Várhelyi Jr., G. Nagy, J. Zsakó, Cs. Várhelyi, A.
Kovács, G. Liptai: On the oxime complexes of transition metals. Part
CXVIII. Study on the protolytic equilibria in the solutions of mixed chelates
of the type
71. K.
Mészáros-Szécsényi, V.M. Leovac, Ž.K.
Jaćimović, V.I. Češljević, A. Kovács, G.
Pokol: Transition metal complexes with pyrazol-based ligands. 8. Characterisation
and thermal decomposition of zinc(II) complexes with di- and trisubstituted
pyrazoles. Journal of Thermal Analysis and Calorimetry, 63 (2000)
723-732.
72. A.
Kovács, V. Izvekov, K. Zauer, K. Ohta: Strong intramolecular
hydrogen bonding and molecular vibrations of 9-hydroxyphenalen-1-one.The
Journal of Physical Chemistry A, 105 (2001) 5000-5009. (Abstract)
73. A.
Kovács, G. Frenking: CO labilizing effect of ligands L in
74. 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)
75. K.
Mészáros-Szécsényi, V.M. Leovac, Ž.K.
Jaćimović, V.I. Češljević, A. Kovács, G.
Pokol: Transition metal complexes with pyrazol-based ligands. Part 12.
Characterisation and thermal decomposition of CuCl2 complexes with di- and
trisubstituted pyrazoles. Journal of Thermal Analysis and Calorimetry,
66 (2001) 573-581.
76. A.
Kovács: The Chemical Vapor Deposition of Gallium Nitride from the
GaCl3+NH3 system. A Theoretical Study of the Structure, Bonding and
Thermodynamics of Potential Intermediates Formed in the Gaseous Phase. Inorganic
Chemistry, 41 (2002) 3067-3075.
77. 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)
78. A.
Kovács, A. Szabó,
79. 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)
80. A.
Kovács, R.J.M. Konings: Trimer Formation of AgI. A Gas-Phase FT-IR
and Theoretical Study. Journal of Molecular Structure, 643 (2002)
155-160.
81. A.
Kovács: Vibrational analysis of 4-trifluoromethylphenol. Journal
of Molecular Structure, 645 (2003) 193-198.
82. G. Keglevich,
J. Kovács, Á. Szöllösy, A. Kovács, A.
Szabó, K. Ludányi, I. Kádas, L. Tőke: Unexpected
condensation reaction of two units of 1,2-dihydrophosphinine 1-oxides in the
presence of tetracyanoethylene. Heteroatom Chemistry, 14 (2003) 29-35.
83. C.P. Groen,
A. Oskam, A. Kovács: Theoretical Study of Mixed MLaX4
(M=Na, K, Cs; X = F, Cl, Br, I) Rare Earth/Alkali Halide Complexes. Inorganic
Chemistry, 42 (2003) 851-858.
84. V.
Horváth, A. Kovács, I. Hargittai: Structural aspects of
donor-acceptor interactions. The Journal of Physical Chemistry A, 107
(2003) 1197-1202.
85. T. Pasinszki,
B. Havasi, A. Kovács: A mid-infrared and quantum chemical study
of the structure, conformation and isomerization of the unstable CH3CH2OCN
molecule. The Journal of Physical Chemistry A, 107 (2003) 1720-1726.
86. 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.
87. A.
Kovács: Vibrational analysis of 3-trifluoromethylphenol. Journal
of Molecular Structure, 650 (2003) 99-104.
88. A.
Szabó, A. Kovács: Structure and Molecular Vibrations of
Dimethylglioxime. Journal of Molecular Structure, 651-653 (2003)
615-619.
89. A.
Szabó, A. Kovács: Vibrational analysis of the
bis(dimethylglyoximato)nickel(II) complex. Journal of Molecular Structure,
651-653 (2003) 547-553.
90. 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)
91. K.
Mészáros-Szécsényi, V.M. Leovac, V.I.
Cešljevic, A. Kovács, G. Pokol, G. Argay, A. Kalman, G.A.
Bogdanovic, Ž.K. Jacimovic, A. Spasojevic-de Bire: Reaction of copper(II)
with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole,
4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole. Inorganica
Chimica Acta, 353 (2003) 253-262.
92. A.
Kovács, R.J.M. Konings: Structure and Vibrations of Lanthanide
Trihalides. An Assessment of Experimental and Theoretical Data. Journal of
Physical and Chemical Reference Data, 33 (2004) 377-404. (Abstract)
93. 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)
94. A.
Kovács, R.J.M. Konings: Theoretical Study of UX6 and UO2X2
(X = F, Cl, Br, I). Journal of Molecular Structure (Theochem), 684
(2004) 35-42.
95. 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)
96. A.
Kovács, C. Esterhuysen, G. Frenking: The Nature of the Chemical Bond
Revisited: An Energy Partitioning Analysis of Nonpolar Bonds. Chemistry - A
European Journal, 11 (2005) 1813-1825. (Abstract)
97. L. S.
Khaikin, O. E. Grikina, N. F. Stepanov, A. Kovács: An analysis of
the vibrational spectra of N,N-dimethylformamide isotopomers and unsubstituted
N,N-dimethylcarbamoyl chloride with scaling the force field calculated by the
MP2 method using a basis set including f functions. Russian Journal of
Physical Chemistry, 79 (2005) 959-966.
98. 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)
99. 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,
100. L. S. Khaikin, O. E.
Grikina, A. Kovács, L. V. Vilkov: The planar equilibrium
conformation of N,N-dimethylcarbamoyl chloride according to the electron
diffraction, quantum chemistry and vibrational spectroscopy data. Russian
Journal of Physical Chemistry, 79 (2005) 1115-1120.
101. Z. Varga, A.
Kovács: Hydrogen bonding in peptide secondary structures. International
Journal of Quantum Chemistry, 105 (2005) 302-312. (Abstract)
102. 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.
103. A. Kovács,
R.J.M. Konings: A theoretical study of the structure and bonding of UOX4
(X=F, Cl, Br, I) molecules. The importance of inverse trans influence. ChemPhysChem,
7 (2006) 455-462. (Abstract)
104. A. Kovács, Z.
Varga: Halogen acceptors in hydrogen bonding. Coordination Chemistry Reviews, 250 (2006) 710-727. (Abstract)
105. G. T. de Jong, A.
Kovács, F. M. Bickelhaupt: Oxidative addition of hydrogen halides
and dihalogens to Pd. Trends in reactivity and relativistic effects. The Journal
of Physical Chemistry A, 110 (2006) 7943-7951.
106. 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)
107. 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)
108. K.
Mészáros Szécsényi, V. M. Leovac, A.
Kovács, G. Pokol, Z. K. Jacimovic: Transition metal complexes with
pyrazole-based ligands. Part 21. Thermal decomposition of copper and cobalt
halide complexes with 3,5-dimethyl-1-thiocarboxamidepyrazole. Journal of
Thermal Analysis and Calorimetry, 85 (2006) 289-293.
109. G. Frenking, C.
Esterhuysen, A. Kovács: Reply to “Comment on the
Comparative Use of the Electron Density and its Laplacian”. Chemistry
– A European Journal, 12 (2006) 7773-7774.
110. 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.
111. Cs.
Várhelyi Jr., A. Kovács, D. Nemcsok, Z. Németh, E.
Kuzmann, A. Vértes, K. Vékey, Cs. Várhelyi, Gy. Pokol:
Spectroscopic and thermal studies of
112. A.
Kovács, K. Mészáros Szécsényi, V.M.
Leovac, Z. D. Tomić, G. Pokol:
Synthesis under self-controlled reaction conditions: reaction of
tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole. Journal
of Organometallic Chemistry, 692
(2007) 2582-2592.
113. A.
Kovács, V. Izvekov, G. Keresztury, C. J. Nielsen, P. Klæboe:
Vibrational spectroscopic study of 2-fluorophenol and
2,3,5,6-tetrafluorohydroquinone. Chemical Physics, 335 (2007) 205-214. (Abstract)
114. V.
M. Leovac, R. Petković, A.
Kovács, G. Pokol, K. Mészáros Szécsényi:
Reactions of divalent transition metal halides with
3,5-dimethyl-1-hydroxymethylpyrazole. Journal
of Thermal Analysis and Calorimetry, 89 (2007) 267-275.
115. A.
Kovács: Theoretical study of the strong intramolecular hydrogen bond
and metal-ligand interactions in group 10 (Ni, Pd, Pt) bis(dimethylglyoximato)
complexes. Journal of Organometallic Chemistry, 692 (2007) 5383-5389. (Abstract)
116. A.
Kovács, D.S. Nemcsok, Gy. Keglevich: A theoretical study on the mechanism
of the Baeyer-Villiger type oxidation of 7-phosphanorbornene 7-oxides. Heteroatom
Chemistry, 18 (2007) 759-766.
117. V.M. Leovac,
Z.D.Tomić, A. Kovács, M.D. Joksović, L.S.
Jovanović, K. Mészáros Szécsényi: Cobalt(II)
Complexes with Disubstituted 3-Aminopyrazole Derivative. Mononuclear Co(II)
Complex with In-situ Prepared Formamidine Ligand. Journal of
Organometallic Chemistry, 693 (2008) 77-86.
118. A.
Kovács, R.J.M. Konings: Molecular structure and thermodynamic
properties of the gaseous ThC2 and ThC4 species. Journal
of Nuclear Materials, 372 (2008) 391-393.
(Abstract)
119. A. Kovács,
R.J.M. Konings, J. Raab, L. Gagliardi: A theoretical study of AmOn
and CmOn (n = 1, 2). Physical Chemistry Chemical Physics,
10 (2008) 1114-1118. (Abstract)
120. A. Kovács,
B. Nyerges, V. Izvekov: Vibrational
analysis of N-acetyl-α-d-glucosamine
and β-d-glucuronic acid. Journal of Physical Chemistry B, 112 (2008) 5728-5735. (Abstract)
121. 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)
122. B.
Krámos, A. Kovács: Metal-Ligand
Interactions in Fe(II)-Dioxime Complexes. Journal of Molecular Structure (Theochem), 867 (2008) 1-4.
123. Z. Németh, E. Kuzmann, A.
Vértes, A. Kovács, Cs. Várhelyi Jr., Cs. Várhelyi:
Mössbauer study of
124. Hargittai M., Kovács A., Nyulászi L., Veszprémi T.:
Számítógéppel
a periódusos rendszerben. Magyar
Kémiai Folyóirat, 114 (2008) 95-101.
125.
126. A. Kovács, A. Yu. Ivanov: Vibrational
analysis of a-d-glucose
trapped in Ar matrix. Journal of Physical
Chemistry B, 113 (2009) 2151-2159.
127. Cs. Várhelyi jr., A.
Kovács, Á. Gömöri, K. Majdik, Cs. Várhelyi,
Gy.
Pokol: Comparative Spectral and Thermal Studies of some
128. P. Pogány, A. Kovács: Conformational properties of the
disaccharide building units of hyaluronan. Carbohydrate
Research,
344(13) (2009) 1745-1752.
129. B. Holló, Z. D. Tomić, P.
Pogány, A. Kovács, V. M. Leovac, M. D. Joksović, K.
Mészáros Szécsényi: Transition
metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal
studies of cadmium(II) halides and zinc(II) chloride complexes with
3,5-dimethylpyrazole-1-carboxamidine. Polyhedron,
28(17) (2009) 3881-3889
130. I. Infante, A. Kovacs, G.
La Macchia, A. R. M. Shahi, J. K. Gibson, L. Gagliardi: Ionization energies for
the actinide mono- and dioxides series, from Th to Cm: theory versus
experiment. J. Phys. Chem. A, 114(19)
(2010) 6007-6015. DOI: 10.1021/jp1016328.
131. A. Kovács, D. S. Nemcsok, T. Kocsis: Bonding
interactions in EDTA complexes. Journal of
Molecular Structure (Theochem),
950 (2010) 93-97.
132. C. P. Groen, A. Kovács: Matrix-isolation FT-IR study of (CsBr)n
and (CsI)n (n=1-3). Vibrational
Spectroscopy, 54 (2010) 30-34.
133. P. Pogány, A. Kovács: Theoretical
study of hyaluronan oligosaccharides. Structural
Chemistry, 21 (2010) 1185–1194.
DOI 10.1007/s11224-010-9658-y
134. B. Holló, V. M. Leovac, P.
Bombicz, A. Kovács, L. S. Jovanović, G. Bogdanović, V. Kojić,
V. Divjaković, M. D. Joksović, K. Mészáros Szécsényi:
Synthesis, Structural, DFT, and Cytotoxicity Studies of CuII and NiII
Complexes with 3-Aminopyrazole Derivatives. Australian
Journal of Chemistry, 63 (2010) 1557–1564.
135. L. S. Khaikin, O. E. Grikina, G. V.
Girichev, A. Kovacs, K. P. Dyugaev, A. M. Astachov: The Geometry of the
Nitroguanyl Fragment in the Simplest Nitroguanidine Derivatives in the Absence
of Intermolecular Interactions: The Gas Electron Diffraction Data on 1,1,3,3-Tetramethyl-2-nitroguanidine.
Russian Journal of Physical Chemistry A,
85(3) (2011) 441–446.
136. B. Averkiev, M. Mantina, R. Valero, I.
Infante, A Kovacs, D. G. Truhlar, L. Gagliardi: How accurate are electronic
structure methods for actinoid chemistry? Theoretical
Chemistry Accounts, 129 (2011) 657-666.
137. A. Kovács, R.J.M. Konings: Computed
vibrational frequencies of actinide oxides AnO0/+/2+ and AnO20/+/2+
(An = Th, Pa, U, Np, Pu, Am, Cm). Journal
of Physical Chemistry A, 115(24) (2011) 6646-6656.