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Central Database of Staff

  1. AAA Electron correlation in molecules / Miroslav Urban ... [et al.]
    New York : Plenum Press, 1987
  2. ABB Relativistic effects in atomic and molecular properties / Miroslav Iliaš, Vladimír Kellö, Miroslav Urban
    In: Acta Physica Slovaca. - Vol. 60, No. 3 (2010), s. 259-391
  3. ADC The quadrupole moment of the Sb nucleus from molecular microwave data and calculated relativistic electric-field gradients / Lukáš Demovič ... [et al.]
    In: Journal of Chemical Physics. - Vol. 124, No. 18 (2006), Art. No. 184308
  4. ADC Relativistic calculations of AuSi+ and AuSi- / Maria Barysz, Uvan Černušák, Vladimír Kellö
    In: International Journal of Quantum Chemistry. - Roč. 119, č. 16 (2019), s. [1-13], Art. No. e25951
  5. ADC The (hyper) polarizabilities of AuXeF and XeAuF / F. Holka ... [et al.]
    In: Chemical Physics Letters. - Vol. 472, No. 4-6 (2009), s. 185-189
  6. ADC The fourth order diagrammatic MB-RSPT calculations of the correlation energy of the electron systems / Miroslav Urban ... [et al.]
    In: Journal of Chemical Physics. - Vol. 72, No. 5 (1980), s. 3378-3385
  7. ADC Complete fourth-order many-body perturbation theory calculations of the dipole moment and dipole polarizability / G. H. F. Diercksen, Vladimír Kellö, A. J. Sadlej
    In: Chemical Physics Letters. - Vol. 95 (1983), s. 226-231
  8. ADC Perturbation theory of the electron correlation effects for atomic and molecular properties VI. Complete active space (CAS)SCF and MBPT calculations of electric properties of the FH molecule / G. H. F. Diercksen ... [et al.]
    In: Chemical Physics. - Vol. 77 (1983), s. 93-101
  9. ADC Finite-field many-body perturbation theory. V. Quadrupole moments of FH and H2O from complete fourth order MBPT calculations / G. H. F. Diercksen ... [et al.]
    In: Molecular Physics. - Vol. 49 (1983), s. 711-725
  10. ADC Perturbation theory of the electron correlation effects for atomic and molecular properties. VII. Complete fourth-order MBPT study of the dipole moment and dipole polarizability of H2O / G. H. F. Diercksen, Vladimír Kellö, A. J. Sadlej
    In: Journal of Chemical Physics. - Vol. 79 (1983), s. 2918 - 2923
  11. ADC Fourth-order MB-RSPT calculations of the spectroscopic constants and potential energy curve of F2 / Miroslav Urban, Jozef Noga, Vladimír Kellö
    In: Theoretica Chimica Acta. - Vol. 62, No. 3 (1983), s. 549-562
  12. ADC Scaling in second order electron correlation calculations of potential energy curves and spectroscopic constants / Stephen Wilson ... [et al.]
    In: Molecular Physics. - Vol. 50, No. 6 (1983), s. 1323-1333
  13. ADC Correlation effects and bond-correlation energies in the series of molecules including C1 to C4 hydrocarbons Fourth-order MB-RSPT calculations / Vladimír Kellö ... [et al.]
    In: Journal of the American Chemical Society. - Vol. 106, No. 20 (1984), s. 5864-5971
  14. ADC Ab initio MBPT(4) calculations of the inversion potential function of NH3 / Vladimír Kellö ...[et al.]
    In: Croatica Chemica Acta. - Vol. 57 (1984), s. 1661-1665
  15. ADC Ab initio MB RSPT calculations of barriers of non-rigid rearrangements of complex hydrides LiBH4 and Li2BeH4 / Vladimír Kellö, Miroslav Urban, A. I. Boldyrev
    In: Chemical Physics Letters. - Vol. 106 (1984), s. 455-459
  16. ADC Activation barriers of SN2 reactions: F- +CH3F and H- + CH3F Fourth-order MB RSPT calculations / Miroslav Urban, Ivan Černušák, Vladimír Kellö
    In: Chemical Physics Letters. - Vol. 105 (1984), s. 625-629
  17. ADC The ground state potential energy curve of Be2 Is the MBPT approach capable of predicting it? / G. H. F. Diercksen, Vladimír Kelllö, A. J. Sadlej
    In: Chemical Physics. - Vol. 96 (1985), s. 59-79
  18. ADC MBPT studies of Van der Waals molecules. III. The reliability of apparently accurate calculations for the magnesium dimer / G. H. F. Diercksen, Vladimír Kellö, A. J. Sadlej
    In: Chemical Physics. - Vol. 103 (1986), s. 55-74
  19. ADC Can the coupled cluster method improve many-body perturbation theory reaction energies significantly? The H2CO -> H2 + CO reaction / Miroslav Urban ... [et al.]
    In: Chemical Physics Letters. - Vol. 135, No. 4-5 (1987), s. 346-351
  20. ADC Electric properties of the chloride ion / Vladimír Kellö, B. O. Roos, A. J. Sadlej
    In: Theoretica Chimica Acta. - Vol. 74 (1988), s. 185-194
  21. ADC A study of the performance of highlevel correlated methods: The energy, dipole moment, and polarizability functions of CO / Vladimír Kellö ... [et al.]
    In: Chemical Physics Letters. - Vol. 152, No. 4-5 (1988), s. 387-392
  22. ADC A theoretical study of the A1H <-- X1E+ system of SiH+ / J. M. Matos ... [et al.]
    In: Journal of Chemical Physics. - Vol. 89 (1988), s. 423-432
  23. ADC Accuracy in ab initio reaction-energy computations. 1. Compounds of first-row elements / J. R. Van Wazer ... [et al.]
    In: Journal of Physical Chemistry A. - Vol. 94 (1990), s. 5694-5710
  24. ADC Interaction potentials in rare gas-halide ion systems / Vladimír Kellö, A. J. Sadlej
    In: Chemical Physics. - Vol. 157 (1991), s. 123-133
  25. ADC Relativistic effects in low-lying electronic states of iron / Lukáš Demovič, Vladimír Kellö, Miroslav Urban
    In: Theoretical Chemistry Accounts. - Vol. 129, No. 3-5 (2011), s. 561-566
  26. ADC Quadrupole moments of CuH, AgH, and AuH A study of the electron correlation and relativistic effects / Vladimír Kellö, A. J. Sadlej
    In: Journal of Chemical Physics. - Vol. 95 (1991), s. 8248-8253
  27. ADC Electron correlation and relativistic contributions to molecular electric properties: dipole and quadrupole moments of cyanogen halides / Vladimír Kellö, A. J. Sadlej
    In: Molecular Physics. - Vol. 75 (1992), s. 209-220
  28. ADC Medium-size polarized basis sets for high-level-correlated calculations of molecular electric properties. VI. Fifth-row atoms: Pb through At. / Vladimír Kellö, A. J. Sadlej
    In: Theoretica Chimica Acta. - Vol. 83 (1992), s. 351-366
  29. ADC A CAS SCF study of reactive interactions between Be(3P) and H2(1SIGMAg+) / Vladimír Kellö, A. J. Sadlej
    In: Theoretica Chimica Acta. - Vol. 81 (1992), s. 417-424
  30. ADC The change of picture of the Hellmann-Feynman force operator in approximate relativistic methods / Vladimír Kellö, Andrzej J. Sadlej
    In: Journal of Molecular Structure-Theochem. - Vol. 547 (2001), s. 35-53
  31. ADC Quasirelativistic studies of molecular electric properties: Dipole moments of the group IVa oxides and sulfides / V. Kellö, A. J. Sadlej
    In: Journal of Chemical Physics. - Vol. 98 (1993), s. 1345-1351
  32. ADC Nuclear quadrupole moments of Kr and Xe from molecular data / Vladimir Kellö, Pekka Pyykkö, Andrzej J. Sadlej
    In: Chemical Physics Letters. - Vol. 346 (2001), s. 155-159
  33. ADC Electron-correlation and relativistic contributions to atomic dipole polarizabilities: Alkali-metal atoms / Vladimír Kellö, A. J. Sadlej, K. Faegri
    In: Physical Review A - Atomic, Molecular, and Optical Physics. - Vol. 47 (1993), s. 1715-1725
  34. ADC Nuclear quadrupole moments of bromine and iodine from combined atomic and molecular data / Jacek Bieron ... [et al.]
    In: Physical Review A - Atomic, Molecular, and Optical Physics. - Vol. 64, No. 5 (2001), Art. No. 052507 [6 s.]
  35. ADC Accuracy assessment of the ROHF - CCSD(T) calculations of static dipole polarizabilities of diatomic radicals: O2, CN, and NO / Miroslav Medveď ... [et al.]
    In: Journal of Molecular Structure-Theochem. - Vol. 547 (2001), s. 219-232
  36. ADC Inclusion of mean-field spin-orbit effects based on all-electron two-component spinors: Pilot calculations on atomic and molecular properties / Miroslav Illiaš ... [et al.]
    In: Journal of Chemical Physics. - Vol. 115, No. 21 (2001), s. 9667-9674
  37. ADC Polarized basis sets for high-level-correlated calculations of molecular electric properties. VIII. Elements of the Group IIb: Zn, Cd, Hg / Vladimír Kellö ... [et al.]
    In: Theoretica Chimica Acta. - Vol. 91 (1995), s. 353-371
  38. ADC Electron correlation and relativistic effects in the coinage metal compounds I. The coinage metal hydrides / V. Kellö, A.J. Sadlej
    In: Theoretica Chimica Acta. - Vol. 92 (1995), s. 253-267
  39. ADC Electron correlation and relativistic effects in the coinage metal compounds. II. Heteronuclear dimers: CuAg, CuAu, and AgAu / Vladimír Kellö, J.A. Sadlej
    In: Journal of Chemical Physics. - Vol. 103 (1995), s. 2991-2999
  40. ADC Simple sparse matrix multiplication algorithm / D. Král, P. Neogrády, V. Kellö
    In: Computer Physics Communications. - Vol. 85 (1995), s. 213-216
  41. ADC Electric dipole polarizabilities of negative ions of the counage metal atoms / Vladimír Kellö ... [et al.]
    In: Chemical Physics Letters. - Vol. 253 (1996), s. 383-389
  42. ADC Relativistic effects on electric properties of many-electron systems in spin-averaged Douglas-Kroll and Pauli approximations / Vladimír Kellö ... [et al.]
    In: Journal of Chemical Physics. - Vol. 105 (1996), s. 1995-2003
  43. ADC Determination of the quadrupole moment of the halogen nuclei (Cl,Br,I) from molecular data / V. Kellö, A.J. Sadlej
    In: Molecular Physics. - Vol. 89 (1996), s. 127-137
  44. ADC The quadrupole moment of the As nucleus from molecular microwave data and calculated relativistic electric field gradients / Lukáš Demovič, Vladimír Kellö, Andrzej J. Sadlej
    In: Chemical Physics Letters. - Vol. 498, No. 1-3 (2010), s. 10-13
  45. ADC Standardized basis sets for high-level-correlated relativistic calculations of atomic and molecular electric properties in the spin-averaged Douglas-Kroll (no-pair) approximation I. Groups Ib and IIb / V. Kelllö, A.J. Sadlej
    In: Theoretica Chimica Acta. - Vol. 94, No. 3 (1996), s. 93-104
  46. ADC Some Trends in Relativistic and Electron Correlation Effects in Electric Properties of Small Molecules / Miroslav Urban, Vladimír Kellö
    In: Advances in Quantum Chemistry. - Vol. 50 (2005), s. 249-269
  47. ADC Theoretical study of PbO and the PbO anion / Miroslav Iliaš ... [et al.]
    In: Chemical Physics Letters. - Vol. 408, No. 4-6 (2005), s. 210-215
  48. ADC Polarizabilities of confined two-electron systems: the 2-electron quantum dot, the hydrogen anion, the helium atom and the lithium cation / F. Holka ... [et al.]
    In: Molecular Physics. - Vol. 103, No. 20 (2005), s. 2747-2761
  49. ADC Polarized basis sets for high-level-correlated calculations of molecular electric properties VII. Elements of the Group Ib: Cu, Ag, Au / P. Neogrády ... [et al.]
    In: Theoretica Chimica Acta. - Vol. 93 (1996), s. 101-129
  50. ADC Standardized basis sets for high-level-correlated relativistic calculations of atomic and molecular electric properties in the spin-averaged Douglas-Kroll approximation II. Groups Ia and IIa / I. Miadoková ... [et al.]
    In: Theoretical Chemistry Accounts. - Vol. 96, No. 3 (1997), s. 166-175
  51. ADC Ionization potentials and electron affinities of Cu, Ag, and Au: Electron correlation and relativistic effects / P. Neogrády ... [et al.]
    In: International Journal of Quantum Chemistry. - Vol. 63, No. 2 (1997), s. 557-565
  52. ADC The nuclear quadrupole moment of 14N from accurate electric field gradient calculations and microwave spectra of NP molecule / Vladimír Kellö, Andrzej J. Sadlej
    In: Collection of Czechoslovak Chemical Communications. - Vol. 72, No. 1 (2007), s. 64-82
  53. ADC Standardized medium-size basis sets for calculations of molecular electric properties: groupIIIA / Ivan Černušák, Vladimír Kellö, Andrzej J. Sadlej
    In: Collection of Czechoslovak Chemical Communications. - Vol. 68, No. 2 (2003), s. 211-239
  54. ADC Electric properties of hydrogen iodide: Reexamination of correlation and relativistic effects / Miroslav Iliaš ... [et al.]
    In: Theoretical Chemistry Accounts. - Vol. 110, No. 3 (2003), s. 176-184
  55. ADC Electron correlation and relativistic effects in electric properties of the alkali metal fluorides / Ingrid Miadoková, Vladimír Kellö, Andrzej J. Sadlej
    In: Molecular Physics. - Vol. 96, No. 2 (1999), s. 179-187
  56. ADC Static dipole polarizabilities and hyper-polarizabilities of dicyanopolyacetylenes / Ingrid Miadoková, Vladimír Kellö, Geerd H. F. Diercksen
    In: Chemical Physics Letters. - Vol. 287 (1998), s. 509-514
  57. ADC Chemická reaktivita - míľniky bratislavskej skupiny kvantovej chémie / Ivan Černušák ... [et al.]
    In: Chemické listy [elektronický dokument]. - Vol. 110, No. 5 (2016), s. 376-384
  58. ADC Ab initio calculations of molecular properties of low-lying electronic states of 2-cyclopenten-1-one - link with biological activity / Jana Fišanová, Ivan Černušák, Vladimír Kellö
    In: Journal of Molecular Modeling. - Vol. 18, No. 10 (2012), s. 4751-4759
  59. ADC Dipole Moments Calculations of Transition Metal mononitrides: ScN, TiN, VN, and CrN: Limits of the CCSD(T) Method / Branislav Jansík, Vladimír Kellö, Miroslav Urban
    In: International Journal of Quantum Chemistry. - Vol. 90, No. 3 (2002), s. 1240-1248
  60. ADC Off-Center Gaussian Functions, an Alternative Atomic Orbital Basis Set for Accurate Noncovalent Interaction Calculations of Large Systems / Miroslav Melicherčík ... [et al.]
    In: Journal of Chemical Theory and Computation. - Vol. 9, No. 12 (2013), s. 5296-5304
  61. ADC Electron-correlation and relativistic contributions to dipole moments of heavy oxides and sulfides: SnO, PbO, SnS, and PbS / V. Kellö, A. J. Sadlej, K. Faegri
    In: Journal of Chemical Physics. - Vol. 108 (1998), s. 2056-2066
  62. ADC Picture change and calculations of expectation values in approximate relativistic theories / V. Kellö, A. J. Sadlej
    In: International Journal of Quantum Chemistry. - Vol. 68 (1998), s. 159-174
  63. ADC The quadrupole moment of the 39K and 41K nuclei from microwave data for KF and KCl / Vladimír Kellö, A. J. Sadlej
    In: Chemical Physics Letters. - Vol. 292 (1998), s. 403-410
  64. ADC Theoretical study of molecular properties of low-lying electronic excited states of H2O and H2S / Jana Páleníková ... [et al.]
    In: Molecular Physics. - Vol. 106, No. 20 (2008), s. 2333-2344
  65. ADC The nuclear quadrupole moment of 73Ge from molecular microwave data / Vladimír Kellö, A. J. Sadlej
    In: Molecular Physics. - Vol. 96 (1999), s. 275-281
  66. ADC Electric quadrupole moment of 27Al nucleus: Converging results from the AlF and AlCl molecules and the Al atom / Vladimír Kellö ... [et al.]
    In: Chemical Physics Letters. - Vol. 304, No. 5-6 (1999), s. 414-422
  67. ADC Nuclear quadrupole moments from molecular microwave data: The quadrupole moment of 85Rb and 87Rb nuclei and survey of molecular data for alkali-metal nuclei / Vladimír Kellö, A. J. Sadlej
    In: Physical Review A - Atomic, Molecular, and Optical Physics. - Vol. A60 (1999), s. 3575-3585
  68. ADC The beryllium atom-water molecule interaction. A many-body perturbation study / F. Haase, J. Sauer, Vladimír Kellö
    In: Chemical Physics Letters. - Vol. 174 (1990), s. 19-24
  69. ADC Estimates of relativistic contributions to molecular properties / Vladimír Kellö, A. J. Sadlej
    In: Journal of Chemical Physics. - Vol. 93 (1990), s. 8122-8133
  70. ADC Relativistic contributions to molecular electric field gradients in halogen halides / Vladimír Kellö, A. J. Sadlej
    In: Chemical Physics Letters. - Vol. 174 (1990), s. 641-648
  71. ADC An ab initio Investigation of the dipole moment of the CO2...CO complex / Vladimír Kellö, Kenneth Lawley, Geerd H. F. Diercksen
    In: Chemical Physics Letters. - Vol. 319, No. 3-4 (2000), s. 231-237
  72. ADC The nuclear quadrupole moment of 91Zr from molecular data for ZrO and ZrS / Vladimír Kellö ... [et al.]
    In: Chemical Physics Letters. - Vol. 318, No. 1-3 (2000), s. 222-231
  73. ADC The nuclear quadrupole moment of 45Sc / Vladimír Kellö, Andrzej J. Sadlej, Pekka Pyykkö
    In: Chemical Physics Letters. - Vol. 329 (2000), s. 112-118
  74. ADC Role of relativity in energy pattern of low-lying terms of Fe, Ru and Os / Lukáš Demovič, Vladimír Kellö, Miroslav Urban
    In: Computational and Theoretical Chemistry. - Vol. 1084, May (2016), s. 157-161
  75. ADC The point charge model of nuclear quadrupoles: How and why does it work / Vladimír Kellö, Andrzej J. Sadlej
    In: Journal of Chemical Physics. - Vol. 112, No. 2 (2000), s. 522-526
  76. ADC Polarization functions for Gaussian basis sets for the first row atoms / Miroslav Urban, Vladimír Kellö, P. Čársky
    In: Theoretica Chimica Acta. - Vol. 45 (1977), s. 205-213
  77. ADC Electric field gradients from shifted-nucleus calculations: An alternative to the point charge nuclear quadrupole moment model / Vladimír Kellö, Andrzej J. Sadlej
    In: Journal of Chemical Physics. - Vol. 120, No. 19 (2004), s. 9424-9426
  78. ADC Calculation of the correlation energy of molecules by many-body Rayleigh-Schrodinger perturbation theory up to third order / Miroslav Urban, Vladimír Kellö, Ivan Hubač
    In: Chemical Physics Letters. - Vol. 51, No. 1 (1977), s. 170-174
  79. ADC Fourth-order diagrammatic MB-RSPT calculations of the interaction energy between two helium atoms / Jozef Noga ... [et al.]
    In: Theoretica Chimica Acta. - Vol. 59, No. 3 (1981), s. 309-317
  80. ADC Ab initio studies of chemical equilibria. Equilibria containing first row hydrides AH2,AH3, and AH4 and their positive ions / Vladimír Kellö ... [et al.]
    In: Chemical Physics Letters. - Vol. 53 (1978), s. 555-559
  81. ADC Ab initio studies of chemical equilibria. Application of many-body Rayleigh-Schrodinger perturbarion theory up to third order to the proton affinity of water / Vladimír Kellö ...[et al.]
    In: Chemical Physics Letters. - Vol. 58, No. 1 (1978), s. 83-86
  82. ADC Ab initio studies of chemical equilibria. A refined approach to the reaction NH2- + H2-NH3 + H- / P. Carsky, R. Zahradnik, Miroslav Urban
    In: Chemical Physics Letters. - Vol. 61 (1979), s. 85-87
  83. ADC The effect of disconnected wavefunction clusters of double excitations on the correlation energy of molecules / Ivan Hubač, Miroslav Urban, Vladimír Kellö
    In: Chemical Physics Letters. - Vol. 62 (1979), s. 584-588
  84. ADC Applications of perturbation theory to the chemical problems Potential energy curves of BH,F2 and N2 / Miroslav Urban, Vladimír Kellö
    In: Molecular Physics. - Vol. 38 (1979), s. 1621-1633
  85. ADC Many-body Rayleigh-Schrodinger perturbation calculations of the correlation energy of open shell molecules in the restricted Roothaan-Hartree-Fock formalism Application to heats of reaction and energies of activation / P. Carsky ... [et al.]
    In: Theoretica Chimica. - Vol. 56 (1980), s. 315-328
  86. ADC Fourth-order diagrammatic MB-RSPT calculations of the correlation energy: N2,CO,F2 and the reaction energy of the process 1/2F+1/2H-HF / Vladimír Kellö, Miroslav Urban
    In: International Journal of Quantum Chemistry. - Vol. 18 (1980), s. 1431-1448
  87. ADC Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives / Luis Serrano-Andres ... [et al.]
    In: Journal of Chemical Physics. - Vol. 131, No. 13 (2009), Art. No. 134312
  88. ADC Relativistic calculations of low-lying electronic states of ruthenium and osmium / Lukáš Demovič, Vladimír Kellö, Miroslav Urban
    In: Journal of Physics B - Atomic Molecular and Optical Physics. - Vol. 47, No. 2 (2014), s. 25001-25001
  89. ADC Quadrupole moments of Cd and Zn nuclei: When solid-state, molecular, atomic, and nuclear theory meet / H. Haas ... [et al.]
    In: EPL. - Vol. 117, No. 1 (2017), Art. No. 62001 [6 s.]
  90. ADC The quadrupole moment of the 3/2(+) nuclear ground state of Au-197 from electric field gradient relativistic coupled cluster and density-functional theory of small molecules and the solid state / P. Schwerdtfeger ... [et al.]
    In: Journal of Chemical Physics. - Vol. 122, No. 12 (2005), Art. No. 124317
  91. ADC Optimized virtual orbitals for relativistic calculations: an alternative approach to the basis set construction for correlation calculations / Michal Pitoňák ... [et al.]
    In: Molecular Physics. - Vol. 104, No. 13-14 (2006), s. 2277-2292
  92. ADD Fourth-order diagrammatic MB-RSPT calculations of the reaction energy and the equilibrium constant of the reaction 1/2F+1/2H-HF / V. Kellö
    In: Chemical papers. - Vol. 36 (1982), s. 289-299
  93. ADD MB-RSPT calculations of reactions energies for the series of reactions including C1 to C4 molecules / V. Kellö, J. Noga, M. Urban
    In: Chemical papers. - Vol. 39, No. 2 (1985), s. 245-254
  94. ADD Interactions of ions. Ab initio SCF-MO-LCAO calculations of Li+-H2O-OH- with a minimal Gaussian basis set / M. Urban ... [et al.]
    In: Collection of Czechoslovak Chemical Communications. - Vol. 40 (1975), s. 587-596
  95. ADD Gaussian basis set for sodium compatible with the Dunnings basis sets for the first row atoms / P. Carsky ... [et al.]
    In: Collection of Czechoslovak Chemical Communications. - Vol. 42 (1977), s. 1460-1465
  96. ADD Ab initio calculations on the equilibrium constant of the reaction NH2- + H2-NH3 + H- by the SCF and many-body Rayleigh-Schrodinger perturbation theory / P. Carsky ... [et al.]
    In: Collection of Czechoslovak Chemical Communications. - Vol. 43 (1978), s. 1965-1973
  97. ADE Relativistic and Electron Correlation Effects as a Tool for Explaining Some Trends in Molecular Properties and Interactions / Miroslav Urban, Vladimír Kellö
    In: Computing Letters. - Vol. 2, No. 4 (2006), s. 259-265
  98. ADE QCPE #482 / P. Čársky ... [et al.]
    In: Bulletin. - Vol. (1984), s.
  99. ADE Quasi-relativistic Coupled Cluster calculations of electric dipole moments and dipole polarizabilities of GeO, SnO, and PbO / Vladimír Kellö, Andrej Antušek, Miroslav Urban
    In: Journal of Computational Methods in Sciences and Engineering. - Vol. 4, Iss. 4 (2004), s. 753-764
  100. AFC Determination of Nuclear Quadrupole Moments - an Example of the Synergy of Ab initio Calculations and Microwave Spectroscopy / Vladimír Kellö
    In: Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010). - ISBN 978-0-7354-1282-8. - Melville : American Institute of Physics, 2015. - S. 203-204
  101. AFC The effect of unlinked clusters of double excitation on the correlation energy of molecules / Ivan Hubač, Miroslav Urban, Vladimír Kellö
    In: 4th Seminar on Computational Methods in Quantum Chemistry. - Berlin : Max-Planck Institute für Physics and Astrophysics, 1978. - S. 111
  102. AFD Výpočty elektronických excitovaných stavov molekuly MoCs / Dávid Vrška ... [et al.]
    In: Študentská vedecká konferencia PriF UK 2018. Zborník recenzovaných príspevkov [elektronický dokument]. - ISBN 978-80-223-4517-0. - Bratislava : Univerzita Komenského v Bratislave, 2018. - S. 1102-1106 [online]
  103. AFE Hatree-Fock stability and symmetry broken solutions of systems in external confinement / Filip Holka ... [et al.]
    In: Central European Symposium on Theoretical Chemistry 2006. - Warsaw : University of Warsaw, 2006. - S. 10
  104. AFE Some trends in relativistic and electron correlation effects in electric properties of small molecules / Miroslav Urban, Vladimír Kellö, Andrej Antušek
    In: Response Theory and Molecular Properties. - Sonderborg : University of Southern Denmark and Aarhus University, 2004. - S. nestr.
  105. AFE Electric properties of the chloride ion / V. Kellö, B.O. Roos, A.J. Sadlej
    In: Setca Meeting. - Atlanta : [s.n.], 1988. -
  106. AFE Electron correlation and relativistic effects in calculations of atomic and molecular electric properties (3 decades of common work with Andrzej Sadlej) / Vladimír Kellö
    In: 10-th Central European Symposium on Theoretical Chemistry. CESTC 2011. - [S.l.] : [s.n.], 2011. - S. 8
  107. AFE Electron corr. and relat. contrib. to atomic and molecular electric properties / V. Kellö, A.J. Sadlej
    In: Congress of ISTCP. Book of Abstracts. - Girona : [s.n.], 1993. - S. 63
  108. AFE Electric field gradient calculations by quantum chemical methods / Vladimír Kellö
    In: 3rd Joint International Conference on Hyperfine Interactions and International Symposium on Nuclear Quadrupole Interactions. Book of abstrakt. - [S.l.] : [s.n.], 2010. - S. 66
  109. AFE Coparison of MVD and Douglas-Knoll no-pain calculations of electric properties in high level correlation approximations6 / V. Kellö, A.J. Sadlej
    In: European Workshop on Quantum Systems in Chemistry and Physics. - [s.l.] : [s.n.], 1986. - S.
  110. AFE Molecular electric tield gradient (EFG) calculations. Winter School in Theoretical Chemistry.-Determination of Nuclear Quadrupole Moments, Helsinki, 1996 / V. Kellö
    In: Winter School in Theoretical Chemistry. Determination of Nuclear Quadrupole Moments. - Helsinki : [s.n.], 1996. -
  111. AFG Corr. effects & bond corr. energies in ser. of C1-C4 Hydrocarb. MBPT4 calc / M. Urban ... [et al.]
    In: 5th American conference on theoretical chemistry. - Jackson Hall : [s.n.], 1984. - S. 87
  112. AFG Relativistic effects in low lying electronic states of iron, ruthenium and osmium / Lukáš Demovič, Vladimír Kellö, Miroslav Urban
    In: 10-th Central European Symposium on Theoretical Chemistry. CESTC 2011. - [S.l.] : [s.n.], 2011. - S. 66
  113. AFG Electron correl. and relat. contrib. to atomic & molecular properties / V. Kellö
    In: Molecular physics seminar. - Garching : [s.n.], 1992. - S. 137
  114. AFG Electron correlation and relat. contriburions to atomic and molecular properties / V. Kellö, M. Urban, A.J. Sadlej
    In: Molecular physics seminar MPI-Astrophysic. Abstracts. - Garching : [s.n.], 1994. - S. 301
  115. AFG Electron Correlation and Relativistic Effects in the Coinage Metal Compounds. / V. Kellö ... [et al.]
    In: European Research Conference on "Relativistic Effects in Mearg-Element Chemistry and Physics". - [s.l.] : [s.n.], 1995. - S.
  116. AFG Determination of nuclear quadrupole moments -an example of the synergy of ab initio calculations and microwawe spectroscopy / Vladimír Kellö
    In: ICMSE 2010. - [S.l.] : AIP, 2010. - nestr. [1 s.]
  117. AFG Comparison of MVD and Douglas-Knoll no-pain calculations of electric properties in high level correlation approximations / V. Kellö, A.J. Sadlej
    In: Recent Advances in Computational Quantum Chemistry. - München : [s.n.], 1996. -
  118. AFG Calculations and interpretation of low-lying electronic states of ruthenium and osmium / Lukáš Demovič, Vladimír Kellö, Miroslav Urban
    In: CESTC 2012. - Graz : Graz University, 2012. - Nestr. [1 s.]
  119. AFG High-accuracy calculations of Cs dipole polarizability and dispersion coefficients C6, C8 for cesium dimer / Lukáš Demovič, Vladimír Kellö
    In: CESTC 2013 - Symposium on Theoretical Chemistry. - ISBN 978-80-87351-26-0. - Praha : J. Heyrovský Institute of Physical Chemistry, 2013. - S. 52
  120. AFG Determination of nuclear quadrupole moment of gold - not an easy task / Vladimír Kellö ... [et al.]
    In: Central European Symposium on Theoretical Chemistry 2008. - Praha : AS CR, 2008. - S. PII-13
  121. AFG Algorithm for generation of off-center gaussian basis set functions grid for computations of accurate noncovalent interaction of large systems / Miroslav Melicherčík ... [et al.]
    In: CESTC 2013 - Symposium on Theoretical Chemistry. - ISBN 978-80-87351-26-0. - Praha : J. Heyrovský Institute of Physical Chemistry, 2013. - S. 62
  122. AFG Spectroscopic and Electric Properties of Tungsten carbide / Ivan Černušák ... [et al.]
    In: 8th Congress of the World Association of the Theoretical and Computational Chemists. - Sydney : WATOC, 2008. - S. PP502
  123. AFG The effects of disconnected clusters on the correlation energy / I. Hubač, M. Urban, V. Kellö
    In: Symposium of computational methods in quantum chemistry. - Stockholm : B. Roos, 1978. - S. 58
  124. AFG Optimized Virtual Orbitals for relativistic calculation: An alternative approach to the basis set construction for correlation calculations / Michal Pitoňák ... [et al.]
    In: 6th European Conference on Computational Chemistry EUCO-CC6. - Bratislava : UK, 2006. - S. 60
  125. AFH Equilibrium constant of the reaction 1/2F2+1/2H2=HF. Fourth order calculations / V. Kellö
    In: Microsymposium quantum chemistry. - [s.l.] : [s.n.], 1981. - S. 67
  126. AFH Fourth order MB-RSPT calculat. of the potential energy curve and spectrosc. const... / M. Urban, V. Kellö
    In: Proceedings of Microsymposium on quantum chemistry. - Liblice : [s.n.], 1981. - S. 33
  127. AFH Použitie 4. poriadku poruchovej teórie pri Ab initio vypoc. chem. reakt. / Miroslav Urban ... [et al.]
    In: Sborník 38. sjezdu Československé společnosti chemické ČSAV. - Praha : ČSAV, 1982. - S. 134
  128. AFH Ground-state potential energy curva of Be2. Complete 4th-order MBPT and CI-SD calcul / V. Kellö, G.H.F. Diercksen
    In: Microsymposium quantum chemistry. - [s.l.] : [s.n.], 1983. - S. 73
  129. AFH 4th-order MB-RSPT calc. of series of hydrocarbons. bond correlation contributions / M. Urban ... [et al.]
    In: Proceedings of Microsymposium quantum chemistry. - Liblice : ČSVTS, 1983. - S. 19
  130. AFH H2CO -> H2 + CO reaction energy basis set dependence with MBPT4 and various versions of CCSDT / Jozef Noga ... [et al.]
    In: Microsymposium on Quantum Chemistry. Abstracts. - Liblice : [s.n.], 1985. - S. 40
  131. AFH MBPT and CC dipole moment function of CO / J. Noga ... [et al.]
    In: 2nd International symposium on element. processes & chemical reactions. - [s.l.] : [s.n.], 1987. - S. 52
  132. AFH MBPT and CC calc. of reaction enthalpies for series of hydrocarbons / V. Kellö, C.S. Ewig, B.A. Hess
    In: Symposium on quantum chemistry. Abstracts. - [s.l.] : [s.n.], 1988. - S. 30
  133. AFH Quantum chemical calculations of molecular properties and reactivity / M. Urban ... [et al.]
    In: Academic initiative - IBM seminář. Proceedings. - Praha : [s.n.], 1992. - S. 51
  134. AFH Relativistic effects - from MVD to DK aprroxination / V. Kellö
    In: 7th Triangle meeting. - [s.l.] : [s.n.], 1996. - S.
  135. AFH Basis sets for calculations of "confined" systems / F. Holka ... [et al.]
    In: 13th European Seminar on Computational Methods in Quantum Chemistry. - Bratislava : SAV, 2005. - S. 6
  136. AFH Využitie superpočítačov v chémii / Vladimír Kellö, Jozef Noga, Ivan Černušák
    In: Paralelné systémy. Zbornik z celoštátneho seminára. - Tatranská Lomnica : [s.n.], 1990. - S. 54-57
  137. AFH Calculation of the correlation energy of molecules by MB-RSPT up to third order / M. Urban, I. Hubač, V. Kellö
    In: Microsymposium on Quantum Chemistry. - [S.l.] : [s.n.], 1977. - S. 33
  138. AFH The effect of disconnected wavefunction clusters of double excitatio / I. Hubač, M. Urban, V. Kellö
    In: Microsymposium on Quantum Chemistry. Abstracts. - [s.l.] : [s.n.], 1979. - S. 15
  139. AFH The fourth order MB-RSPT calculations of the interaction energy / M. Urban ... [et al.]
    In: Abstracts of Microsymposium on quantum chemistry. - Bechyně : ČSVTS, 1979. - S. 18
  140. AFK Dipole moments calculations of early transition metal mononitrides. Limits of the CCSD(T) method / Vladimír Kellö, Branislav Jansík, Miroslav Urban
    In: Austrian - Czech - Polish - Slovak Symposium on Quantum Chemistry (ACPS). - Katowice : Silesian University, 2001. - S. 55
  141. AFK Polarizability of two-electrons confined systems / Filip Holka, Vladimír Kellö, Miroslav Urban
    In: Program Central European Symposium of Theoretical Chemistry. - Nové Hrady : Heyrovského ústav AV ČR, 2003. - S. nestr.
  142. AFK Quasi-relativistic Coupled Cluster calculations of electric dipole moments and dipole polarizabilities of GeO, SnO, and PbO / Vladimír Kellö, Andrej Antušek, Miroslav Urban
    In: A Coastal Voyage in Quantum Chemistry. - Tromso : University of Tromso, NTNU, 2003. - S. 55
  143. AFK Theoretical study of excited electronic states of H2O and H2S / J. Páleníková, V. Kellö, M. Urban
    In: CESTC 2007. - Graz : Graz University of Technology, 2007. - S. P24
  144. AFK Accurate coupled cluster and relativistic calculation of selected molecular properties / Miroslav Urban ... [et al.]
    In: 6th World Congress of Theoretical Oriented Chemists. - Zürich : Swiss Federal Institute of Technology, 2002. - S. PA86
  145. AFK Accurate noncovalent interaction CCSD(T) calculations of large systems with off-center gaussian basis set functions / Miroslav Melicherčík [et al.]
    In: CESTC 2014 [elektronický zdroj]. - ISBN 978-963-313-132-9. - [Budapest] : [Connections 2000], 2014. - S. 55 [online]
  146. AFL Hartree-Fock stability and symmetry broken solutions of systems in external confinement / Filip Holka ... [et al.]
    In: 6th European Conference on Computational Chemistry EUCO-CC6. - Bratislava : UK, 2006. - S. 93
  147. AFL The nuclear quadrupole moments of the group 15 elements; Arsenic / Lukáš Demovič, Vladimír Kellö
    In: Proceedings from the 3rd Japan-Czech-Slovak Symposium for Theoretical and Computational Chemistry. - ISBN 978-80-223-2707-7. - Bratislava : Univerzita Komenského, 2009. - S. 64-65
  148. AFL Electron correlation and relat. contrib. to atomic and molecular properties / V. Kellö, M. Urban, A.J. Sadlej
    In: 8th ICQC satelit meeting. - [s.l.] : [s.n.], 1994. - S. 18
  149. AFL Electric properties of 2-cyclopenten-1-on / Jana Páleníková, Vladimír Kellö
    In: 9th Central European Symposium on Theoretical Chemistry. - ISBN 978-80-223-2907-1. - Bratislava : Univerzita Komenského, 2010. - S. 103
  150. BFA Molecular properties of neutral and charged CsH in the context of the heating and current drive systems* / Ivan Černušák ... [et al.]
    In: Joint ICTP-IAEA Conference on Models and Data for Plasma-Material Interaction in Fusion Devices [elektronický zdroj]. - [s.l.] : [s.n.], 2014. - S. 32-33 [online]
  151. GHG Molcas, System of Quantum Chemistry Programs. Release 3. Theoretical Chemistry [elektronický dokument] : . / K. Andersson ... [et al.]
    Lund : University of Lund, 1994

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