Robert W. Góra, Ph.D.

A2/17
+48 71 320 4076
robert.gora@pwr.wroc.pl
http://zcht.info

Research profile


Born 1974; Ph.D. in physical chemistry 2002 (WUT); faculty of chemistry since 2003 (WUT). Research interests in theoretical chemistry, intermolecular interactions and how they influence the molecular properties

Publications

  1. R. Zaleśny, R. W. Góra, J. M. . Luis, W. Bartkowiak, On the particular importance of vibrational contributions to static electric properties of model linear molecules under spatial confinement, Phys. Chem. Chem. Phys. 17 21782-21786 (2015) DOI
  2. B. Błasiak, M. Maj, M. Cho, R. W. Góra, Distributed Multipolar Expansion Approach to Calculation of Excitation Energy Transfer Couplings, J. Chem. Theory Comput. (2015) DOI [accepted manuscript]
  3. R. Szabla, J. Šponer, R. W. Góra, Electron-Driven Proton Transfer Along H2O Wires Enables Photorelaxation of πσ States in Chromophore-Water Clusters, J. Phys. Chem. Lett. 6 (8), 1467-1471 (2015) DOI
  4. R. Szabla, J. Campos, J. E. Šponer, J. Šponer, R. W. Góra, J. Sutherland, Excited–state hydrogen atom abstraction initiates the photochemistry of β-2’-deoxycytidine, Chem. Sci. 6 (3), 2035-2043 (2015) DOI
  5. R. Szabla, J. E. Šponer, J. Šponer, A. Sobolewski, R. W. Góra, Solvent Effects on the Photochemistry of 4-aminoimidazole-5-carbonitrile, a Prebiotically Plausible Precursor of Purines, Phys. Chem. Chem. Phys. 16 17617-17626 (2014) DOI
  6. R. Szabla, R. W. Góra, J. Šponer, J. E. Šponer, Molecular Mechanism of DAMN to DAFN Photoisomerisation - an Intermediate Step in the Prebiotic Formation of Purine Nucleobases, Chem. Eur. J. 20 (9), 2515-2521 (2014) DOI
  7. R. W. Góra, B. Błasiak, On the Origins of Large Interaction-Induced First Hyperpolarizabilities in Hydrogen-Bonded π -Electronic Complexes, J. Phys. Chem. A 117 (31), 6859-6866 (2013) DOI
  8. R. Zaleśny, R. W. Góra, J. Kozłowska, J. M. . Luis, H. Agren, W. Bartkowiak, Resonant and non-resonant hyperpolarizabilities of spatially confined molecules: a case study of cyanoacetylene, J. Chem. Theory Comput. 9 3463–3472 (2013) DOI
  9. R. Szabla, D. Tuna, R. W. Góra, J. Šponer, A. Sobolewski, W. Domcke, Photochemistry of 2-aminooxazole, a Hypothetical Prebiotic Precursor of RNA Nucleotides, J. Phys. Chem. Lett. 4 2785-2788 (2013) DOI
  10. M. Maj, J. Jeon, R. W. Góra, M. Cho, Induced Optical Activity of DNA-templated Cyanine Dye Aggregates: Exciton Coupling Theory and TD-DFT Studies, J. Phys. Chem. A 117 (29), 5909-5918 (2013) DOI [Prof. John C. Wright Festschrift]
  11. A. Roztoczyńska, A. Kaczmarek-Kedziera, R. W. Góra, W. Bartkowiak, How does the Boys and Bernardi counterpoise correction scheme affects the calculated interaction-induced electric properties? Model hydrogen-bonded systems as a case study, Chem. Phys. Lett. 571 28-33 (2013) DOI
  12. R. Szabla, J. E. Šponer, J. Šponer, R. W. Góra, Theoretical studies of the mechanism of 2-aminooxazole formation under prebiotically plausible conditions, Phys. Chem. Chem. Phys. 15 (20), 7812-7818 (2013) DOI
  13. A. Baranowska-Laczkowska, W. Bartkowiak, R. W. Góra, F. Pawłowski, R. Zaleśny, On the performance of long-range-corrected Density Functional Theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules, J. Comput. Chem. 34 819-826 (2013) DOI
  14. R. W. Góra, M. Maj, S. Grabowski, Resonance-assisted Hydrogen Bonds Revisited. Resonance stabilization vs. charge delocalization, Phys. Chem. Chem. Phys. 15 2514-2522 (2013) DOI
  15. Ż. Czyżnikowska, R. W. Góra, R. Zaleśny, W. Bartkowiak, A. Baranowska-Laczkowska, J. Leszczynski, The effect of intermolecular interactions on the electric dipole polarizabilities of nucleic acid base complexes, Chem. Phys. Lett. 555 230-234 (2013) DOI
  16. R. W. Góra, R. Zaleśny, J. Kozłowska, P. Naciążek, A. Roztoczyńska, K. Strasburger, W. Bartkowiak, Electric dipole (hyper)polarizabilities of spatially confined LiH molecule, J. Chem. Phys. 137 094307 (2012) DOI
  17. R. Roszak, R. W. Góra, S. Roszak, The theoretical studies of interactions of the OH-(H2O)n clusters evolution toward the hydroxide anion hydration, Int. J. Quantum Chem. 112 3046-3051 (2012) DOI
  18. A. Roztoczyńska, R. W. Góra, M. M. Mikołajczyk, W. Bartkowiak, On the Calculations of Interaction Energies and Induced Electric Properties within Polarizable Continuum Model, J. Phys. Chem. A 116 (17), 4409-4416 (2012) DOI
  19. K. M. Langner, T. Janowski, R. W. Góra, P. Dziekoński, W. A. Sokalski, P. Pulay, The ethidium-UA/AU intercalation site: effect of model fragmentation and backbone charge state, J. Chem. Theory Comput. 7 (8), 2600-2609 (2011) DOI
  20. B. Skwara, R. W. Góra, R. Zaleśny, P. Lipkowski, W. Bartkowiak, H. Reis, M. Papadopoulos, J. M. . Luis, B. . Kirtman, On the Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28, J. Phys. Chem. A 115 (37), 10370–10381 (2011) DOI
  21. R. W. Góra, R. Zaleśny, A. Roztoczyńska, W. Bartkowiak, B. Skwara, M. Papadopoulos, . da Silva, D., L., Large Changes of Static Electric Properties of Linear HCN Oligomers Induced by Hydrogen Bonding. An Ab Initio Study , J. Phys. Chem. A 115 (18), 4691–4700 (2011) DOI
  22. Ż. Czyżnikowska, R. W. Góra, R. Zaleśny, P. Lipkowski, K. Jarzembska, P. Dominiak, J. Leszczynski, Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs, J. Phys. Chem. B 114 (29), 9629–9644 (2010) DOI
  23. Ż. Czyżnikowska, P. Lipkowski, R. W. Góra, R. Zaleśny, A. Cheng, On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes, J. Phys. Chem. B 113 (33), 11511–11520 (2009) DOI
  24. B. Skwara, A. Kaczmarek, R. W. Góra, W. Bartkowiak, On the decomposition of interaction-induced electric properties of HF dimer, Chemical Physics Letters 461 203-206 (2008) DOI
  25. Ż. Czyżnikowska, R. Zaleśny, M. Ziółkowski, R. W. Góra, P. Cysewski, The nature of interactions in uracil dimer: An ab initio study, Chem. Phys. Lett. 450 (1-3), 132-137 (2007) DOI
  26. J. Borkowska-Burnecka, R. W. Góra, P. Jamróz, B. Kozłowska-Kołodziej, B. Kułakowska-Pawlak, A. Leśniewicz, B. Prusisz, P. Rutkowski, E. Ingier-Stocka, P. Wojciechowski, J. Wódka, M. Zabłocka-Malicka, W. Zierkiewicz, B. Ziółek, Metodyka nauczania zagadnień chemicznych w oparciu o system zarządzania kursami Moodle, In: Wykorzystanie technologii informatycznych w akademickiej dydaktyce chemii, p. 24-27 Editor: I. Maciejowska, M. Ruszak, S. Witkowski, Wydział Chemii, Uniwersytet Jagielloński, Kraków 2007 [ISBN 978-83-921505-3-4]
  27. B. Skwara, W. Bartkowiak, A. Roztoczyńska, R. W. Góra, J. Leszczynski, On the cooperativity of the interaction-induced (hyper)polarizabilities of the selected hydrogen-bonded trimers, Chem. Phys. Lett. 436 (1-3), 116-123 (2007) DOI
  28. R. W. Góra, On the influence of intermolecular interactions on the electric properties of molecular aggregates, In: Recent Progress in Computational Sciences and Engineering, Vol. 7, (B), p. 1210-1213 Editor: T. Simos, G. Maroulis, Series: Lecture Series on Computer and Computational Sciences, Brill Academic Publishers 2006
  29. J. Szymczak, R. W. Góra, S. Roszak, D. Majumdar, J. Wang, S. Grabowski, J. Leszczynski, Proton bound open shell systems – theoretical studies on O2H+(O2)n (n=1–6) complexes., Mol. Phys. 104 (13-14), 2327-2336 (2006) DOI
  30. B. Skwara, W. Bartkowiak, R. W. Góra, W. Niewodniczański, S. Roszak, On the weak intermolecular interactions and their influence on the optical properties of unsaturated hydrocarbons. Part 1: Two-body interactions., Mol. Phys. 104 (13-14), 2263-2271 (2006) DOI
  31. P. Wielgus, R. W. Góra, B. Szefczyk, S. Roszak, J. Leszczynski, On the influence of microsolvation by argon atoms on the electron affinity properties of water dimer, J. Chem. Phys. 124 (9), 094304 (2006) DOI
  32. R. W. Góra, S. Grabowski, J. Leszczynski, Dimers of formic acid, acetic acid, formamide and pyrrole-2-carboxylic acid: an ab initio study., J. Phys. Chem. A 109 (29), 6397-6405 (2005) DOI [Feature article]
  33. R. W. Góra, W. A. Sokalski, J. Leszczynski, V. Pett, The nature of interactions in the ionic crystal of 3-pentenenitrile, 2-nitro-5-oxo, ion(-1), sodium., J. Phys. Chem. B 109 (5), 2027-2033 (2005) DOI
  34. B. Skwara, W. Bartkowiak, R. W. Góra, W. Niewodniczański, Theoretical Investigations of the Intermolecular Interactions between Unsaturated Hydrocarbons: π-cojugated and π-cumulated Oligomers, Annals Pol. Chem. Soc. 4 662-666 (2005)
  35. B. Skwara, R. W. Góra, W. Bartkowiak, On the influence of non-additive interactions on the optical properties of the selected subsystems of crystalline urea., Chem. Phys. Lett. 406 (1-3), 29-37 (2005) DOI
  36. K. T. Giju, S. Roszak, R. W. Góra, J. Leszczynski, The micro-solvation of Na+: theoretical study of bonding characteristics in weakly bonded ArnNa+ (n=1-8) clusters, Chem. Phys. Lett. 391 (1-3), 112-119 (2004) DOI
  37. R. W. Góra, W. Bartkowiak, S. Roszak, J. Leszczynski, Intermolecular interactions in solution: Elucidating the influence of the solvent, J. Chem. Phys. 120 (6), 2802-2813 (2004) DOI
  38. I. D. Petsalakis, G. Theodorakopoulos, R. W. Góra, S. Roszak, Theoretical ab initio study on the electronic states of GaO and Ga2O, J. Mol. Struc. (THEOCHEM) 672 (1-3), 105-111 (2004) DOI
  39. J. Szymczak, S. Roszak, R. W. Góra, J. Leszczynski, Molecular properties of protonated homogeneous and mixed carbon oxide and carbon dioxide clusters, J. Chem. Phys. 119 (13), 6560-6570 (2003) DOI
  40. R. W. Góra, Ph.D. Thesis: Teoretyczne badania natury oddziaływań w dużych układach molekularnych, (2002) [http://fbc.pionier.net.pl/id/oai:www.dbc.wroc.pl:1661]
  41. R. W. Góra, W. Bartkowiak, S. Roszak, J. Leszczynski, A new theoretical insight into the nature of intermolecular interactions in the molecular crystal of urea., J. Chem. Phys. 117 (3), 1031-1039 (2002) DOI
  42. I. Zilberberg, R. W. Góra, G. M. Zhidomirov, J. Leszczynski, Bonding in the oxo ferrous iron species: a complete active-space self-consistent-field theory verification of the molecular-oxygen-like pattern., J. Chem. Phys. 117 (15), 7153-7161 (2002) DOI
  43. Y. Sheng, R. W. Góra, S. Roszak, M. Kaczorowska, J. Leszczynski, The molecular structures, energetics, and nature of interactions in ArnN2H+ (n=1-12)., J. Phys. Chem. 106 (46), 11162-11167 (2002) DOI
  44. S. Roszak, R. W. Góra, J. Leszczynski, Photoinduced gas-phase solvated ions: experimental and theoretical endeavours., In: Dynamics and transformations of the molecular materials. VIII Polish-French Seminar, Czocha Castle, Poland, p. 153-156 Oficyna Wydawnicza Politechniki Wrocławskiej 2001
  45. M. Kowal, R. W. Góra, S. Roszak, J. Leszczynski, I-H2O and its neutral precursors: similarities and differences., J. Chem. Phys. 115 (20), 9260-9265 (2001) DOI
  46. S. Roszak, M. Kowal, R. W. Góra, J. Leszczynski, The influence of the detachment of electrons on the properties and the nature of interactions in X-H2O (X=Cl, Br) complexes., J. Chem. Phys. 115 (8), 3469-3473 (2001) DOI
  47. R. W. Góra, S. Roszak, J. Leszczynski, The molecular structures and nature of interactions in CH3+Arn (n=1-8) complexes., J. Chem. Phys. 115 (2), 771-777 (2001) DOI
  48. G. Hill, R. W. Góra, S. Roszak, J. Leszczynski, The structure and properties of cis- and trans-MeCl2(NH3)2, Me=Pd and Pt complexes, in ground and excited states., Int. J. Quantum Chem. 83 (3-4), 213-219 (2001) DOI
  49. W. A. Sokalski, R. W. Góra, W. Bartkowiak, P. Kobylinski, J. Sworakowski, A. Chyla, J. Leszczynski, New theoretical insight into the thermal cis-trans isomerization of azo compounds: Protonation lowers the activation barrier., J. Chem Phys. 114 (13), 5504-5508 (2001) DOI
  50. R. W. Góra, S. Roszak, J. Leszczynski, Properties and nature of interactions in Cl-(H2O)n n=1,6 clusters: a theoretical study., Chem. Phys. Lett. 325 (1-3), 7-14 (2000) DOI
  51. R. W. Góra, S. Roszak, J. Leszczynski, The electron affinity properties of NO(N2O)n- (n=1,2) complexes., Asian J. Spectrosc. 4 (1), 1-9 (2000)
  52. E. D. Jemmis, G. Subramanian, A. Nowek, R. W. Góra, R. H. Sullivan, J. Leszczynski, C–H...π interactions involving acetylene: an ab initio MO study, J. Mol. Struc. 556 (1-3), 315-320 (2000) DOI
  53. S. Roszak, R. W. Góra, J. Leszczynski, A theoretical study of the structures and energetics of O-Arn (n=1-6) clusters., Chem. Phys. Lett. 313 (1-2), 198-204 (1999) DOI
  54. R. W. Góra, S. Roszak, J. Leszczynski, Structure and nature of the interaction of CH3N2+ jon shellvated by H2 molecules: CH3N2+(H2)n=1-9, J. Phys. Chem. A 103 (45), 9138-9143 (1999) DOI