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Central Database of Staff

  1. AAA Electron correlation in molecules / Miroslav Urban ... [et al.]
    New York : Plenum Press, 1987
  2. AAA Ab initio calculations. Methods and applications in chemistry / Peter Čársky, Miroslav Urban
    Berlin, Heidelberg, New York : Springer, 1980
  3. AAB Ab initio výpočty v chemii / Petr Čársky, Miroslav Urban
    Praha : SNTL, 1985
  4. 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
  5. ABC Optimized virtual orbital space (OVOS) as a tool for more efficient correlated and relativistic calculations of molecular properties and interactions / Miroslav Urban, Michal Pitoňák, Pavel Neogrády
    In: Trends and perspectives in Modern Computational Science. - ISBN-13: 978-90-04-15541-1. - Leiden : Brill Academic Publishers, 2006. - S. 265-285 [2,6 AH]
  6. ABC Spin adaptations in the open shell coupled cluster theory with a single determinant restricted Hartree-Fock reference / Miroslav Urban, Pavel Neogrády, Ivan Hubač
    In: Recent Advances in Coupled-Cluster Methods. - ISBN 98-1023-112-1. - Singapore : World Scientific, 1997. - S. 275-306
  7. ABC Coupled cluster calculations: OVOS as an alternative avenue towards treating still larger molecules / Pavel Neogrády ... [et al.]
    In: Challenges and Advances in Computational Chemistry and Physics, Vol. 11. Recent Progress in Coupled Cluster Methods. Theory and applications. - ISBN 978-90-481-2884-6. - Heidelberg : Springer, 2010. - S. 429-454 [2,5 AH]
  8. ADC Towards the full coupled-cluster model with triples: a retrospective after 25 years / Jozef Noga, Miroslav Urban
    In: Molecular Physics. - Vol. 108, No. 21-23, Sp. Iss. (2010), s. 2933-2940
  9. ADC MBPT and DFT Study of Hydrogen Cyanide Borane(1) Oligomers and Dehydrogenated Analogues / Adriana Pappová ... [et al.]
    In: Journal of Physical Chemistry A. - Vol. 104, No. 24 (2000), s. 5810-5816
  10. ADC Electron Affinities of Small Uracil-Water Complexes: A Comparison of Benchmark CCSD(T) Calculations with DFT / Pavlína Dedíková, Pavel Neogrády, Miroslav Urban
    In: Journal of Physical Chemistry A. - Vol. 115, No. 11 (2011), s. 2350-2358
  11. ADC Core correlation effects in weak interactions involving transition metal atoms / Miroslav Urban, Andrzej J. Sadlej
    In: Journal of Chemical Physics. - Vol. 112, No. 1 (2000), s. 5-8
  12. 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
  13. ADC The dipole moment and molecular properties of CaH: A theoretical study / Filip Holka, Miroslav Urban
    In: Chemical Physics Letters. - Vol. 426 (2006), s. 252-256
  14. ADC Weak intermolecular interactions III. Ab initio SCF calculations of interaction energy and its components near the Van der Waals minimum / M. Urban, P. Hobza
    In: Theoretica Chimica Acta. - Vol. 36 (1975), s. 207-214
  15. ADC Optimized virtual orbitals for correlated calculations: Towards large scale CCSD(T) calculations of molecular dipole moments and polarizabilities / Michal Pitoňák ... [et al.]
    In: Journal of Molecular Structure-Theochem. - Vol. 768, No. 1-3 (2006), s. 79-89
  16. 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
  17. ADC Molecular properties of boron-coinage metal dimers: BCu, BAg, BAu / M. Barysz, M. Urban
    In: Advances in Quantum Chemistry. - Vol. 28 (1997), s. 257-272
  18. 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
  19. ADC CCSD(T) calculations of the electron affinity of the uracil molecule / Pavlína Dedíková ... [et al.]
    In: Chemical Physics Letters. - Vol. 481, No. 1-3 (2009), s. 107-111
  20. ADC Vibrational spectrum of FHF from high-level correlated calculations of potential energy surfaces / Vladimír Špirko ... [et al.]
    In: Chemical Physics Letters. - Vol. 161 (1989), s. 519-526
  21. ADC MBPT and Coupled-Cluster investigation of isomerization reactions; HCN<=>HNC, BH3CN<=>BH3NC, HCNBH<=>HNCBH / Miroslav Urban, R. J. Bartlett
    In: Journal of the American Chemical Society. - Vol. 110 (1988), s. 4926-4931
  22. ADC Electronic structure and electric properties of the alkali metal dimers / Miroslav Urban, A. J. Sadlej
    In: Journal of Chemical Physics. - Vol. 103 (1995), s. 9692-9704
  23. ADC Binding of aluminium to coinage metals: electron correlation and relativistic effects / Miroslav Urban, A. J. Sadlej
    In: Molecular Physics. - Vol. 92 (1997), s. 587-600
  24. 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
  25. 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
  26. 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
  27. ADC Hartree-Fock stability and broken symmetry solutions of O2- and S2- anions in external confinement / Filip Holka ... [et al.]
    In: Collection of Czechoslovak Chemical Communications. - Vol. 72, No. 2 (2007), s. 197-222
  28. 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
  29. ADC Metastability in the sulphur molecule S2 2+ and S2 3+ cations A theoretical study / Miroslav Urban, G. H. F. Diercksen, M. Juřek
    In: Molecular Physics. - Vol. 94 (1998), s. 199-208
  30. 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
  31. 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
  32. ADC Improved theoretical calculations of InN in its X3sigma- ground state and in the first 3pí excited state / Lukáš Demovič ... [et al.]
    In: Chemical Physics Letters. - Vol. 447, No. 4-6 (2007), s. 215-220
  33. 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
  34. ADC Parallelized Implementation of the CCSD(T) Method in Molcas Using Optimized Virtual Orbitals Space and Cholesky Decomposed Two-Electron Integrals / Michal Pitoňák ... [et al.]
    In: Collection of Czechoslovak Chemical Communications. - Vol. 76, No. 6 (2011), s. 713-742
  35. 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
  36. ADC Ab initio study of many-body decomposition of the interaction energy in small beryllium clusters Be3-6 / Martin Šulka ... [et al.]
    In: Chemical Physics Letters. - Vol. 573, Jun (2013), s. 8-14
  37. ADC Toward Understanding the Bonding Character in Complexes of Coinage Metals with Lone-Pair Ligands. CCSD(T) and DFT Computations / Lukáš F. Pašteka, Tomáš Rajský, Miroslav Urban
    In: Journal of Physical Chemistry A. - Vol. 117, No. 21 (2013), s. 4472-4485
  38. ADC DFT modeling of cross-linked polyethylene: Role of gold atoms and dispersion interactions / Martin Blaško ... [et al.]
    In: The Journal of Physical Chemistry A. - Roč. 122, č. 5 (2018), s. 1496-1503
  39. ADC Benchmark CCSD(T) and DFT study of binding energies in Be7-12: in search of reliable DFT functional for beryllium clusters / aut. Daniel Labanc, Martin Šulka, Michal Pitoňák, Ivan Černušák, Miroslav Urban, Pavel Neogrády
    In: Molecular Physics. - Roč. 116, č. 10 (2018), s. 1259-1274
  40. 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
  41. ADC A coupled cluster study of van der Waals interactions of the He atom with CN, NO and O2 radicals / Juraj Raab ... [et al.]
    In: Collection of Czechoslovak Chemical Communications. - Vol. 69, No. 1 (2004), s. 189-212
  42. ADC The isomerization reaction HNCBH3 <=> HCNBH3 / Pavel Neogrády ... [et al.]
    In: Journal of Molecular Structure-Theochem. - Vol. 90, No. 3-4 (1992), s. 261-269
  43. ADC Electron Affinities of Uracil: Microsolvation Effects and Polarizable Continuum Model / Miroslav Melicherčík ... [et al.]
    In: Journal of Physical Chemistry A. - Vol. 116, No. 9 (2012), s. 2343-2351
  44. ADC Spin-adapted restricted Hatree-Fock reference coupled-cluster theory for open-shell systems: Noniterative triples for noncanonical orbitals / Pavel Neogrády, Miroslav Urban
    In: International Journal of Quantum Chemistry. - Vol. 55 (1995), s. 187-203
  45. ADC CASPT2 and CCSD(T) calculations of dipole moments and polarizabilities of acetone in excited states / Lukáš F. Pašteka ... [et al.]
    In: Molecular Physics. - Vol. 110, No. 18 (2012), s. 2219-2237
  46. ADC Open-shell van der Waals complexes of the coinage metals: Cu...H2O, Ag...H2O, Cu...H2S, and Cu...H2S / P. Neogrády, M. Urban, A. J. Sadlej
    In: Journal of Molecular Structure-Theochem. - Vol. 332 (1995), s. 197-207
  47. ADC A comparison of variational and Coupled Cluster calculations of molecular properties: the polarizabilities of BeO, 1g+, and 1Eg+, 3IIu, and 1Eg- / V. Parasuk ... [et al.]
    In: Journal of Physical Chemistry. - Vol. 100, No. 15 (1996), s. 6325-6331
  48. ADC Accuracy assessment of the ROHF-CCSD(T) calculations of dipole moments of small radicals / M. Urban ... [et al.]
    In: Collection of Czechoslovak Chemical Communications. - Vol. 63 (1998), s. 1409-1430
  49. ADC Relativistic coupled-cluster static dipole polarizabilities of the alkali metals from Li to element 119 / L. S. Lim ... [et al.]
    In: Physical Review A - Atomic, Molecular, and Optical Physics. - Vol. A 60, No. 4 (1999), s. 2822-2828
  50. ADC Calculation of vertical ionization potentials of H2O and Ne by many-body Razleigh-Schrodinger perturbation theory / Ivan Hubač, Miroslav Urban
    In: Theoretica Chimica Acta. - Vol. 45, No. 3 (1977), s. 185-195
  51. 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
  52. ADC Spin adapted restricted open shell coupled cluster theory. Linear version / Pavel Neogrády, Miroslav Urban, Ivan Hubač
    In: Journal of Chemical Physics. - Vol. 97 (1992), s. 5074-5080
  53. ADC Lone pair interactions with coinage metal atoms: Weak van der Waals complexes of the coinage metal atoms with water and ammonia / Andrej Antušek, Miroslav Urban, Andrzej J. Sadlej
    In: Journal of Chemical Physics. - Vol. 119, No. 14 (2003), s. 7247-7262
  54. ADC Software News and Update MOLCAS 7: The Next Generation / Francesco Aquilante ... [et al.]
    In: Journal of Computational Chemistry. - Vol. 31, No. 1 (2010), s. 224-247
  55. 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
  56. 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
  57. ADC Software News and Update MOLCAS 7: The Next Generation / Francesco Aquilante ... [et al.]
    In: Journal of Computational Chemistry. - Vol. 31, No. 1 (2010), s. 224-247
  58. 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
  59. ADC Core-valence correlation effects in the ground and low-lying excited states of GaN / Michal Kraus ... [et al.]
    In: Molecular Physics. - Vol. 108, No. 3-4, Spec. Iss. (2010), s. 467-476
  60. ADC Highly correlated calculations using optimized virtual orbital space with controlled accuracy. Application to counterpoise corrected interaction energy calculations / Michal Kraus ... [et al.]
    In: International Journal of Quantum Chemistry. - Vol. 112, No. 4 (2012), s. 948-959
  61. 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
  62. 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
  63. 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
  64. 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
  65. 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
  66. ADC MBPT and coupled-cluster activation barriers The model SN2 reaction: H- + CH3F = CH4F- / Miroslav Urban ... [et al.]
    In: Chemical Physics Letters. - Vol. 159, No. 2-3 (1989), s. 155-158
  67. ADC On the effect of electron correlation in SN2 reactions: OH- + CH3F = CH3OH + F- / I. Černušák, G.H.F. Diercksen, M. Urban
    In: Chemical Physics Letters. - Vol. 128, No. 5-6 (1986), s. 538-544
  68. ADC Ab initio výpočty v chemii po 28 letech / Petr Čársky, Miroslav Urban
    In: Chemické listy [elektronický dokument]. - Vol. 102, No. 9 (2008), s. 865-872
  69. 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
  70. ADC Benzene Dimer: High-Level Wave Function and Density Functional Theory Calculations / Michal Pitoňák ... [et al.]
    In: Journal of Chemical Theory and Computation. - Vol. 4, No. 11 (2008), s. 1829-1834
  71. 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
  72. ADC Direct evaluation of one-electron properties in coupled-cluster methods / Miroslav Urban ... [et al.]
    In: Theoretica Chimica Acta. - Vol. 77, No. 1 (1990), s. 29-37
  73. ADC The nuclear quadrupole moment of LI: refined calculations of electric field gradients in LIH, LIF and LICL / Miroslav Urban, A. J. Sadlej
    In: Chemical Physics Letters. - Vol. 173 (1990), s. 157-163
  74. ADC Molecular electric properties in electronic excited states: multipole moments and polarizabilities of H2O in the lowest states 1B1 and 3B1 / Miroslav Urban, A. J. Sadlej
    In: Theoretica Chimica Acta. - Vol. 78 (1990), s. 189-201
  75. ADC Electric properties of ionic diatoms: BEO / G. H. F. Diercksen, A. J. Sadlej, Miroslav Urban
    In: Chemical Physics. - Vol. 158 (1991), s. 19-32
  76. ADC Medium-size polarized basis sets for high-level-correlated calc. of mol. elec. properties III. Alkali (II, Na, K, RB) and alkaline-earth (BE, Mg, Ca, Sr) atoms / A. J. Sadlej, Miroslav Urban
    In: Journal of Molecular Structure-Theochem. - Vol. 234 (1991), s. 147-171
  77. ADC Mutual dependence of relativistic and electron correlation contributions properties: the dipole moment of AGH / A.J. Sadlej, Miroslav Urban
    In: Chemical Physics Letters. - Vol. 176 (1991), s. 293-302
  78. ADC Relativistic and electron-correlation contributions to the dipole polarizability of the alkaline-earth-metal atoms Ca, Sr and BA / A.J. Sadlej, Miroslav Urban, O. Gropen
    In: Physical Review A - Atomic, Molecular, and Optical Physics. - Vol. 44 (1991), s. 5547-5557
  79. ADC A study of the accuracy of the CCSD+T(CCSD) aproximation Electric properties of KH and RBH / Miroslav Urban, A. J. Sadlej
    In: Journal of Chemical Physics. - Vol. 95 (1991), s. 5490 - 5491
  80. ADC C2H4B2N2: a prediction of ring and chain compounds / Ivan Černušák ... [et al.]
    In: Journal of the American Chemical Society. - Vol. 114, No. 27 (1992), s. 10955-10956
  81. ADC C2H4B2N2:Ab initio prediction of structure and properties of ring and chain compounds / Ivan Černušák ... [et al.]
    In: Journal of Physical Chemistry. - Vol. 98, No. 35 (1994), s. 8653-8659
  82. ADC Software News and Update MOLCAS 7: The Next Generation / Francesco Aquilante ... [et al.]
    In: Journal of Computational Chemistry. - Vol. 31, No. 1 (2010), s. 224-247
  83. ADC Spin adapted restricted Hartree-Fock reference coupled cluster theory for open-shell systems / P. Neogrády, M. Urban, I. Hubač
    In: Journal of Chemical Physics. - Vol. 100, No. 5 (1994), s. 3706-3716
  84. ADC On the accuracy of molecular properties by coupled-cluster methods for some difficult examples: oxygen atom, iron atom, and cyano radical / M. Urban, J. D. Watts, R. J. Bartlett
    In: International Journal of Quantum Chemistry. - Vol. 52 (1994), s. 211-225
  85. 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
  86. ADC Au-n (n=1,11) Clusters Interacting With Lone-Pair Ligands / Tomáš Rajský, Miroslav Urban
    In: Journal of Physical Chemistry A. - Vol. 120, No. 22 (2016), s. 3938-3949
  87. 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
  88. 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
  89. 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
  90. 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
  91. 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
  92. ADC Optimized virtual orbitals for correlated calculations: an alternative approach / Pavel Neogrády, Michal Pitoňák, Miroslav Urban
    In: Molecular Physics. - Vol. 103, No. 15-16 (2005), s. 2141-2157
  93. ADC Coupled-cluster study of spectroscopic constants of the alkali metal diatomics: ground and the singlet excited states of Na2, NaLi, NaK, and NaRb / Pavel Neogrády ... [et al.]
    In: Collection of Czechoslovak Chemical Communications. - Vol. 70 (2005), s. 951-978
  94. 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
  95. ADC Software News and Update MOLCAS 7: The Next Generation / Francesco Aquilante ... [et al.]
    In: Journal of Computational Chemistry. - Vol. 31, No. 1 (2010), s. 224-247
  96. ADC Software News and Update MOLCAS 7: The Next Generation / Francesco Aquilante ... [et al.]
    In: Journal of Computational Chemistry. - Vol. 31, No. 1 (2010), s. 224-247
  97. ADC Van der Waals complex of Cu, Ag, and Au with hydrogen sulfide. The bonding character / Jaroslav Granatier, Miroslav Urban, Andrzej J. Sadlej
    In: Journal of Physical Chemistry A. - Vol. 111, No. 50 (2007), s. 13238-13244
  98. ADC Structure and energetics of InN and GaN dimers / Lucia Šimová ... [et al.]
    In: Chemical Physics. - Vol. 349, No. 1-3 (2008), s. 98-108
  99. ADC Electron Affinity of the O2 Molecule: CCSD(T) Calculations Using the Optimized Virtual Orbitals Space Approach / Martin Šulka ... [et al.]
    In: International Journal of Quantum Chemistry. - Vol. 108, No. 12 (2008), s. 2159-2171
  100. ADC Toward more efficient CCSD(T) calculations of intermolecular interactions in model hydrogen-bonded and stacked dimers / Pavlína Dedíková ... [et al.]
    In: Journal of Physical Chemistry A. - Vol. 112, No. 30 (2008), s. 7115-7123
  101. 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
  102. ADC A comparative DFT study of interactions of Au and small gold clusters Au-n (n=2-4) with CH3S and CH2 radicals / Martin Blaško, Tomáš Rajský, Miroslav Urban
    In: Chemical Physics Letters. - Vol. 671, March (2017), s. 84-91
  103. ADC Dimers of rare gas atoms: CCSD(T), CCSDT and FCI calculations on the He2 dimer, CCSD(T) and CCSDT calculations on the Ne2 dimer, and CCSD(T) all electron and pseudopotential calculations on the dimers from Ne2 through Xe2 / J. V. Burda ... [et al.]
    In: Molecular Physics. - Vol. 89 (1996), s. 425-432
  104. ADC Density functional theory modeling of C-Au chemical bond formation in gold implanted polyethylene / Andrej Antušek ... [et al.]
    In: Physical Chemistry Chemical Physics. - Vol. 19, No. 42 (2017), s. 28897-28906
  105. ADC Comparative study of electron correlation and relativistic effects in CuF, AgF, and AuF / M. Iliaš, P. Furdík, M. Urban
    In: Journal of Physical Chemistry A. - Vol. 102, No. 27 (1998), s. 5263-5268
  106. ADC Towards a full CCSDT model for electron correlation. CCSDT-n models / Jozef Noga, R. J. Bartlett, Miroslav Urban
    In: Chemical Physics Letters. - Vol. 134, No. 2 (1987), s. 126-132
  107. ADC Weak intermolecular interactions IV. An application of the function counterpoise method to the calculation of the interaction energy and its components / Miroslav Urban, P. Hobza
    In: Theoretica Chimica Acta. - Vol. 36 (1975), s. 215-220
  108. ADC Accurate electrical and spectroscopic properties of X1S+ BeO from single reference coupled-cluster methods / J. D. Watts, M. Urban, R. J. Bartlett
    In: Theoretica Chimica Acta. - Vol. 90 (1995), s. 341-355
  109. ADC Benchmark calculations of some molecular properties of O2, CN and other selected small radicals using the ROHF-CCSD(T) method / Pavel Neogrády ... [et al.]
    In: Molecular Physics. - Vol. 100, No. 5 (2002), s. 541-560
  110. ADC On expectation value calculations of one-electron properties using the coupled cluster wave functions / Jozef Noga, Miroslav Urban
    In: Theoretica Chimica Acta. - Vol. 73, No. 4 (1988), s. 291-306
  111. ADC Use of molecular symmetry in the coupled cluster theory / Petr Čársky ... [et al.]
    In: Journal of Chemical Physics. - Vol. 87, No. 1 (1987), s. 411-415
  112. ADC CCSD(T) expectation value calculations of first-order properties / Miroslav Medveď, Miroslav Urban, Jozef Noga
    In: Theoretical Chemistry Accounts. - Vol. 98, No. 2-3 (1997), s. 75-84
  113. 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
  114. 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
  115. ADD Effect of hydratation of hydrogen bond in Li+..H2O..OH- Ab initio SCF calculations / Ivan Černušák, Miroslav Urban
    In: Collection of Czechoslovak Chemical Communications. - Vol. 43 (1978), s. 1956-1964
  116. ADD Vybrané kapitoly aplikovanej kvantovej chémie. 2 Ab initio kvantovochemické výpočty s Gaussovou bazou / Miroslav Urban
    In: Chemické listy [elektronický dokument]. - Vol. 16 (1971), s. 690-712
  117. ADD Ab initio SCF-MO-LCAO calculations with a molecule calibrated contracted Gaussian basis. 1. / Miroslav Urban
    In: Collection of Czechoslovak Chemical Communications. - Vol. 16 (1971), s. 3482-3496
  118. ADD Ab initio SCF-MO-LCAO calculations with a molecule calibrated contracted Gaussian basis. 2. Optimization of exponents and contraction coefficients / Miroslav Urban
    In: Collection of Czechoslovak Chemical Communications. - Vol. 38 (1973), s. 2043-2053
  119. ADD On the use of localized orbitals for determination of contracted Gaussian basis sets in ab initio molecular calculations / Miroslav Urban, R. Polák
    In: Collection of Czechoslovak Chemical Communications. - Vol. 39 (1974), s. 2567-2575
  120. ADD On the Gaussian bond functions in ab initio calculations of proton potential curves in hydrogen bonded systems / Miroslav Urban, S. Pavlík, T. Kožár
    In: Chemical papers. - Vol. 31 (1977), s. 165-170
  121. ADD Ab initio calcuations of the rate constants of the reaction F- +CH3 _ F...CH3...F- / Ivan Černušák ... [et al.]
    In: Chemical papers. - Vol. 36 (1982), s. 749-760
  122. 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
  123. 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
  124. ADD Ion-water midi-1 pair potential for computer simulation / I. Černušák, A. Bucsi, M. Urban
    In: Chemical papers. - Vol. 44, No. 5 (1990), s. 577-587
  125. ADD Effect of electron correlation on SN2 activation barriers Fourth order MBPT calculations / Ivan Černušák, Miroslav Urban
    In: Collection of Czechoslovak Chemical Communications. - Vol. 53, No. 10 (1988), s. 2239-2249
  126. 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
  127. ADE Basis set quantum chemistry and quantum monte carlo: selected atomic and molecular results / M. Urban, R. J. Barlett, S. A. Alexander
    In: International Journal of Quantum Chemistry. - Symp. 26 (1992), s. 271-290
  128. 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
  129. ADE QCPE #482 / P. Čársky ... [et al.]
    In: Bulletin. - Vol. (1984), s.
  130. AEG Properties of molecular systems using large-scale cc calculations / Pavel Neogrády ... [et al.]
    In: Chemické listy [elektronický dokument]. - Vol. 104, No. 6 (2010), s. 473
  131. AEG Electric and spectroscopic properties of low-lying excited states of acetone / Lukáš F. Pašteka, Miroslav Urban
    In: Chemické listy [elektronický dokument]. - Vol. 104, No. 6 (2010), s. 496
  132. 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
  133. AFD Au-C väzba v HDPE po implantácií zlatom, študované pomocou experimentálnej ATR-FTIR metódy a teoretických DFT výpočtov / Andrej Antušek ... [et al.]
    In: Študentská vedecká konferencia Prif UK 2017 [elektronický dokument] : zborník recenzovaných príspevkov. - ISBN 978-80-223-4310-7. - Bratislava : Univerzita Komenského, 2017. - S. 874-879 [online]
  134. AFD Interakcie nanoklastrov zlata s ligandami s voľným elektrónovým párom: CCSD(T) a DFT výpočty / Tomáš Rajský, Miroslav Urban
    In: Študentská vedecká konferencia PriF UK 2014 [elektronický dokument]. - ISBN 978-80-223-3592-8. - Bratislava : Univerzita Komenského, 2014. - S. 1112-1116 [CD-ROM]
  135. 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
  136. AFE Coupled-cluster calculations: An alternative avenue towards treating still larger molecules / Miroslav Urban, Pavel Neogrády, Michal Pitoňák
    In: 13 th International Congress of Quantum Chemistry. - ISBN 978-952-10-5618-5. - Helsinki : University of Helsinki, 2009. - S. 32
  137. AFE Indium Nitride - MRDCI and CC Study / Lukáš Demovič ... [et al.]
    In: CESTC 2007. - Graz : Graz University of Technology, 2007. - S. L23
  138. AFE Advances in Theory, Computer Program and Applications of the OVOS (Optimized Virtual Orbitals Space) Coupled Cluster Method / Pavel Neogrády ... [et al.]
    In: CESTC 2007. - Graz : Graz University of Technology, 2007. - S. L25
  139. AFE Interactions of the Cu, Ag, and Au atoms with H2O, NH3, and SH2 / Miroslav Urban ... [et al.]
    In: The Systematic Treatment of Electron Correlation. - Gainesville : University of Florida, 2004. - S. 3
  140. 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.
  141. AFE An Interplay of electron correlation and relativistic effects in the interaction of the Cu, Ag, and Au atoms with water and ammonia / Miroslav Urban, Andrej Antušek, Andrzej J. Sadlej
    In: Symposium on Recent Developments in Computational Chemistry - Can Theory Answer Questions in Applied Natural Sciences?. - Wien : IBF and Universität für Bodenkultur, 2003. - S. 8
  142. AFE Interactions of model biomolecules. Benchmark CC calculations within MOLCAS / Miroslav Urban ... [et al.]
    In: ICMSE 2010. - [S.l.] : AIP, 2010. - nestr. [1 s.]
  143. AFE Properties of confined systems. From CCSD (T) calculations of H up to the solvated uracil anion / Miroslav Urban ... [et al.]
    In: ICMSE 2010. - [S.l.] : AIP, 2010. - nestr. [1 s.]
  144. AFE Towards a More Accurate and More Efficient Copupled Cluster Implementation in the Bratislava Group / Pavel Neogrády ... [et al.]
    In: 48th Sanibel Symposium. - Gainesville : University of Florida, 2008. - S. 2
  145. 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
  146. 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
  147. AFG Hartree-Fock stability and broken symmetry solutions of O2- and S2- anions in external confinement. HF and CCSD(T) polarizabilities of confined O2-, S2-, and F- anions / Filip Holka, Pavel Neogrády, Miroslav Urban
    In: Molecular Quantum Mechanics - Analytic Gradients and Beyond. - ISBN 978-963-463-924-4. - Budapest : ELTE Institute of Chemistry, 2007. - S. 93
  148. AFG Spectroscopic properties of InN in X-3-Sigma-minus and 3-Pi states. Comparison of MRDCI and DK-CCSD(T) methods / Lukáš Demovič ... [et al.]
    In: Molecular Quantum Mechanics - Analytic Gradients and Beyond. - ISBN 978-963-463-924-4. - Budapest : ELTE Institute of Chemistry, 2007. - S. 193
  149. AFG The ovos method in intermolecular interactions CCSD(T) calculations of neon dimer and trimer / Lucia Šimová ... [et al.]
    In: JCS Symposium on Theoretical Chemistry 2011 . Conference book. - Liblice : UOCHB AV ČR, 2011. - Nestr. [1 s.]
  150. AFG Quasi-relativistic CC calculations of electric dipole moments and dipole polarizabilities of GeO, SnO, PbO / Miroslav Urban
    In: Program Central European Symposium of Theoretical Chemistry. - Nové Hrady : Heyrovského ústav AV ČR, 2003. - S. nestr.
  151. AFG Theoretical study on properties of the valence excited states of acetone / Lukaš F. Pašteka, Miroslav Melicherčík, Miroslav Urban
    In: JCS Symposium on Theoretical Chemistry 2011 . Conference book. - Liblice : UOCHB AV ČR, 2011. - nestr. [1 s.]
  152. 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
  153. AFG Solvation effects on uracil / Miroslav Melicherčík ... [et al.]
    In: 10-th Central European Symposium on Theoretical Chemistry. CESTC 2011. - [S.l.] : [s.n.], 2011. - S. 85
  154. AFG A link between non-additiveties of dipole polatizabilities and interaction energies in Van der Waals coinage metal-ligand complexes / Lukáš F. Pašteka, Tomáš Rajský, Miroslav Urban
    In: CESTC 2012. - Graz : Graz University, 2012. - Nestr. [1 s.]
  155. AFG Relativistic effects in intermolecular interactions: coinage metals with lone pair ligands / Tomáš Rajský, Miroslav Urban, Lukáš Paštéka
    In: CESTC 2012. - Graz : Graz University, 2012. - Nestr. [1 s.]
  156. 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.]
  157. AFG CCSD(T), MP2 and DFT investgations of electron affinities of uracil: microsolvation and the polarized continuum model / Miroslav Melicherčík ... [et al.]
    In: 16th International Workshop on Quantum Systems in Chemistry. - Kanazawa : Kanazawa University, 2011. - S. 91
  158. AFG Towards Understanding the Bonding Character in Complexes of Coinage Metals with Lone-Pair Ligands / Lukáš F. Pašteka, Tomáš Rajský, Miroslav Urban
    In: CESTC 2013 - Symposium on Theoretical Chemistry. - ISBN 978-80-87351-26-0. - Praha : J. Heyrovský Institute of Physical Chemistry, 2013. - S. 73
  159. AFG Electron affinity of the uracil molecule: CCSD(T) calculations using the optimized virtual orbital space (OVOS) approach / Pavlína Dedíková ... [et al.]
    In: Central European Symposium on Theoretical Chemistry 2008. - Praha : AS CR, 2008. - S. PII-11
  160. 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
  161. AFG Complexes of Cu, Ag and Au with the thiomethyl radical. Approaching a model for Self-Assembled Monolayers / Jaroslav Granatier, Miroslav Urban
    In: Central European Symposium on Theoretical Chemistry 2008. - Praha : AS CR, 2008. - S. PII-12
  162. AFG Large-scale calculations on non-covalent interactions of biomolecules / Michal Pitoňák ... [et al.]
    In: Central European Symposium on Theoretical Chemistry 2008. - Praha : AS CR, 2008. - S. PII-15
  163. AFG Electric and spectroscopic properties of the three electronic states of the GaN molecule / Lucia Šimová ... [et al.]
    In: Central European Symposium on Theoretical Chemistry 2008. - Praha : AS CR, 2008. - S. PII-16
  164. AFG Towards More Extended CCSD(T) Calculations of Model H-Bonded and Stacked Dimers and Electron Affinities. Can we Improve the Electron Affinity of Uracil? / Miroslav Urban ... [et al.]
    In: 8th Congress of the World Association of the Theoretical and Computational Chemists. - Sydney : WATOC, 2008. - S. IL156
  165. AFG Dimers of InN and GaN. MP2 and / Lucia Šimová ... [et al.]
    In: 8th Congress of the World Association of the Theoretical and Computational Chemists. - Sydney : WATOC, 2008. - S. OC060
  166. 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
  167. AFG Complexes of coinage metal atoms with selected lone-pair ligands: From weak interactions to a "Relativistic" bond? / Miroslav Urban, Jaroslav Granatier, Andrzej J. Sadlej
    In: WATOC 2008. Beyond the non-relativistic Schrödinger equation from the Dirac-equation to electroweak theory. - Auckland : New Zealand Institute for Advanced Study, 2008. - S. 24
  168. 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
  169. 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.
  170. AFG Optimized Virtual Orbitals Space (OVOS) as a tool for effective Coupled Cluster calculations of molecular properties / Miroslav Urban, Pavel Neogrády, Michal Pitoňák
    In: WATOC 2005. Modelling Structure and Reactivity. - Cape Town : University of Stellenbosch, 2005. - S. 104
  171. 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
  172. AFH Výpočet rýchlostnej konštanty reakcie F- + CH3F - F...CH3...F- v plynnej fáze / I. Černušák ... [et al.]
    In: Zborník zjazdu chemikov. - Bratislava : [s.n.], 1979. - S. 124
  173. 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
  174. 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
  175. AFH MB-RSPT calculations of the correlation energy contribution to the activation barrier in the process F- + CH3 = FCH3F- / Ivan Černušák, Miroslav Urban
    In: Proceedings of Microsymposium on quantum chemistry. - Liblice : [s.n.], 1980. - S. 39
  176. AFH DFT modeling of cross-linked polyethylene: role of gold atoms and dispersion interactions / Martin Blaško ... [et al.]
    In: 23rd Bratislava International Conference on Macromolecules - BIMac 2019 [elektronický dokument]. - ISBN 978-80-89841-10-3. - Bratislava : Slovenská akadémia vied, 2019. - S. 70-70 [online]
  177. 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
  178. AFH Monte Carlo calculation of the solvent effect in the reaction F- +CH3F - FCH3F- / Ivan Černušák, Miroslav Urban
    In: Proceedings of Microsymposium on quantum chemistry. - Liblice : [s.n.], 1982. - S. 59
  179. 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
  180. 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
  181. 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
  182. AFH Fourth-order MBPT calculations of SV2 reactions / Ivan Černušák, Miroslav Urban
    In: Sympózium kvantovej farmakológie. - [s.l.] : [s.n.], 1987. - S. 44
  183. 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
  184. AFH Comparison of MBPT and CC barriers for SN2 reaction H- + CH3 = CH4F- / M. Urban, I. Černušák, G.H.F. Diercksen
    In: Sympózium kvantovej chémie. Zborník. - [s.l.] : [s.n.], 1987. - S. 5
  185. 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
  186. 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
  187. AFH Lone pair interactions with coinage metals: Weak van der Vaals complexes of the coinage metal atoms with water and ammonia / Andrej Antušek, Miroslav Urban, Andrzej J. Sadlej
    In: 7th European Workshop Quantum Systems in Chemistry and Physics. - Bratislava : [s.n.], 2002. - S.
  188. AFK Application of optimized virtual orbitals in calculations of intermolecular interactions / Pavlína Dedíková ... [et al.]
    In: CESTC 2007. - Graz : Graz University of Technology, 2007. - S. P11
  189. 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
  190. AFK Large-scale CCSD(T) calculations using Cholesky decomposed 2-el-integrals and FNO/OVOS truncated virtual orbital space. Application to the non-covalent interactions in models of the biologically interesting systems / Michal Pitoňák ... [et al.]
    In: CESTC 2007. - Graz : Graz University of Technology, 2007. - S. P36
  191. 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
  192. AFK OVOS (Optimised virtual orbitals) as a tool for effective Coupled cluster calculations Applications to molecular dipole moments and polarizabiliites / Michal Pitoňák, Pavel Neogrády, Miroslav Urban
    In: Molecular Quantum Mechanics: The No Nonsense Path to Progress. - England : Cambridge University, 2004. - S. P3.39
  193. AFK Lone pair interactions with coinage metals: Weak van der Vaals complexes of the Cu, Ag, and Au atoms with water and ammonia / Miroslav Urban, Andrej Antušek, Andrzej J. Sadlej
    In: 11th International Congress of Quantum Chemistry. - Bonn : University of Bonn, 2003. - S. C59
  194. AFK Optimised virtual orbitals as a tool for effective Coupled cluster calculations: A renewed interest / Pavel Neogrády, Michal Pitoňák, Miroslav Urban
    In: Electron Correlation: Ab initio Methods and Density Functional Theory. - Stuttgart : University of Stuttgart, 2003. - S. 70
  195. AFK Optimized Virtual Orbital Space a for effective CC calculations, a renewed interest / Michal Pitoňák, Pavel Neogrády, Miroslav Urban
    In: Program Central European Symposium of Theoretical Chemistry. - Nové Hrady : Heyrovského ústav AV ČR, 2003. - S. nestr.
  196. AFK New results using the OVOS (Optimized Virtual Orbitals) techniques / Michal Pitoňák, Pavel Neogrády, Miroslav Urban
    In: Program Central European Symposium of Theoretical Chemistry. - Nové Hrady : Heyrovského ústav AV ČR, 2003. - S. nestr.
  197. 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.
  198. 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
  199. AFK Effects of solvation on electron affinities of uracil / Miroslav Melicherčík ... [et al.]
    In: Ninth triennial congress of the World Association of Theoretical and Computational Chemists -WATOC 2011. - [S.l.] : [s.n], 2011. - S. PII 192
  200. AFK Performance of OVOS method in intermolecular interactions: Neon dimer and trimer / Lucia Šimová ... [et al.]
    In: 50th Sanibel Symposium. - Florida : University of Florida, 2010. - Nestr. [1 s.]
  201. AFK Bonding character of small Au clusters with lone-pair ligands / Tomáš Rajský, Miroslav Urban
    In: CESTC 2014 [elektronický zdroj]. - ISBN 978-963-313-132-9. - [Budapest] : [Connections 2000], 2014. - S. 63 [online]
  202. 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
  203. AFL Relativistic effects as a tool for understanding the mechanism of the interaction of Cu, Ag and Au with electron-donors ligands: Complexes CuSH2, AgSH2, and AuSH2 / Jaroslav Granatier, Miroslav Urban
    In: 6th European Conference on Computational Chemistry EUCO-CC6. - Bratislava : UK, 2006. - S. 83
  204. 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
  205. AFL Electric and spectroscopic properties of the three lowest electronic states of the GaN molecule / Michal Kraus ... [et al.]
    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. 78-80
  206. AFL Electric and spectroscopic properties of low-lying excited states of acetone / Lukáš Pašteka, Miroslav Urban, Pavel Neogrády
    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. 88-90
  207. AFL Electric properties of low-lying excited states of acetone and their interaction with water / Lukáš F. Pašteka, Miroslav Urban
    In: 9th Central European Symposium on Theoretical Chemistry. - ISBN 978-80-223-2907-1. - Bratislava : Univerzita Komenského, 2010. - S. 105-106
  208. AFL Application of OVOS technique in calculations of small semiconductor clusters / Lucia Šimová, P. Neogrády, M. Urban
    In: 9th Central European Symposium on Theoretical Chemistry. - ISBN 978-80-223-2907-1. - Bratislava : Univerzita Komenského, 2010. - S. 123-124
  209. AFL OVOS technique with controlled accuracy in noniterative triples calculations / Martin Šulka ... [et al.]
    In: 9th Central European Symposium on Theoretical Chemistry. - ISBN 978-80-223-2907-1. - Bratislava : Univerzita Komenského, 2010. - S. 139-140
  210. 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
  211. BCI Základné cvičenie z fyzikálnej chémie / L. Adamčíková, J. Kozák, M. Urban
    Bratislava : Slovenské pedagogické nakladateľstvo, 1967
  212. BCI Využitie výpočtovej techniky v chémii / M. Urban, P. Zahradník
    Bratislava : Univerzita Komenského v Bratislave, 1978
  213. FAI Proceedings from the 3rd Japan-Czech-Slovak Symposium for Theoretical and Computational Chemistry / zost. Ivan Černušák, Miroslav Urban
    Bratislava : Univerzita Komenského v Bratislave, 2009
  214. GHG Molcas, System of Quantum Chemistry Programs. Release 3. Theoretical Chemistry [elektronický dokument] : . / K. Andersson ... [et al.]
    Lund : University of Lund, 1994
  215. V3 Towards a full CCSDT model for electron correlation / Miroslav Urban ... [et al.]
    In: Journal of Chemical Physics. - Vol. 83, No. 8 (1985), s. 4041-4046
  216. V3 Towards a full CCSDT model for electron correlation / Miroslav Urban ... [et al.]
    In: Journal of Chemical Physics. - Vol. 83, No. 8 (1985), s. 4041-4046
  217. V3 Towards a full CCSDT model for electron correlation / Miroslav Urban ... [et al.]
    In: Journal of Chemical Physics. - Vol. 83, No. 8 (1985), s. 4041-4046