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

Robert W. Góra

Publications

  1. A. Zawada, 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
  2. 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
  3. 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, Journal of Chemical Theory and Computation 7 (8), 2600-2609 (2011) DOI
  4. R. W. Góra, R. Zaleśny, A. Zawada, 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
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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]
  10. B. Skwara, W. Bartkowiak, A. Zawada, 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
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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]
  16. 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
  17. 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)
  18. 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
  19. 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
  20. 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
  21. 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
  22. 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
  23. 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
  24. 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
  25. 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
  26. 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
  27. 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
  28. 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
  29. 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
  30. 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
  31. 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
  32. 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
  33. 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)
  34. 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
  35. 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
  36. 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

Tematy prac dyplomowych i badawczych (Research topics for students)

  • studia II stopnia - praca magisterska, chemia: Weryfikacja modelu wiązań wodorowych wspomaganych rezonansem w ramach teorii sprzężonych spinowo wiązań walencyjnych (Verification of the resonance-assisted hydrogen bond model within Spin-Coupled Valence Bond theory)
  • studia II stopnia - praca magisterska, biotechnologia: Teoretyczne badania mechanizmu powstawania nukleotydów w warunkach prebiotycznych (Theoretical studies of the mechanism of nucleotides formation in prebiotically plausible conditions)
  • studia jednolite - praca dyplomowa, biotechnologia:Teoretyczne badania mechanizmu powstawania nukleotydów w warunkach prebiotycznych (Theoretical studies of the mechanism of nucleotides formation in prebiotically plausible conditions)
  • studia jednolite - praca dyplomowa, chemia: Weryfikacja modelu wiązań wodorowych wspomaganych rezonansem w ramach teorii sprzężonych spinowo wiązań walencyjnych (Verification of the resonance-assisted hydrogen bond model within Spin-Coupled Valence Bond theory)
  • studia I stopnia - projekt inżynierski, biotechnologia: Badania ab initio fotochemii i fotofizyki 2-amino-oksazolu - potencjalnego prebiotycznego prekursora rybonukleotydów (An ab initio study of photochemistry and photophysics of 2-amino-oxazole - a potential prebiotic precursor of ribonucleotides)