Artur Ratkiewicz

Artur Ratkiewicz

Wydział Chemii / Zakład Chemii Strukturalnej

E-mail:
Phone:
room:
godziny konsultacji:

artrat@uwb.edu.pl
85-738-8258
2020
środa 11:00-13:00

E-mail:artrat@uwb.edu.pl
Phone:85-738-8258
room:2020
godziny konsultacji:środa 11:00-13:00

Areas of scientific activity:

kinetics of elementary reactions
application of symbolic algebra methods to the complex reaction networks
organic computational chemistry

Publications

Baradyn M., Ratkiewicz A."Kinetics of the Hydrogen Abstraction PAH + ^•OH → PAH Radical + H₂O Reaction Class: An Application of the Reaction Class Transition State Theory (RC-TST) and Structure–Activity Relationship (SAR)" J. Phys. Chem. A (2019) DOI: 10.1021/acs.jpca.8b10988
Mai T.V.-T., Ratkiewicz A., Le A., Duong M.V., Truong T.N., Huynh L.K. "On-the-fly kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by methyl/ethyl radicals" Physical Chemistry Chemical Physics 20(36), 23578-23592 (2018)
Wałejko P., Dobrzycki Ł., Ratkiewicz A., Socha P., Witkowski S., Cyrański M.K."An X-ray and Natural Bond Orbital (NBO) structural study of α-tocopheryl and 2,2,5,7,8-pentamethylchroman-6-yl succinates" Journal of Saudi Chemical Society (2018) DOI: https://doi.org/10.1016/j.jscs.2018.08.010
Tylicki A., Lotowski Z., Siemieniuk M., Ratkiewicz A."Thiamine and selected thiamine antivitamins — biological activity and methods of synthesis" Bioscience Reports 38(1), BSR20171148 (2018)
Wojtkielewicz A., Uścinowicz P., Siergiejczyk,L., Kiełczewska,U., Ratkiewicz A., Morzycki J. W. „The studies on the reaction of 16-dehydropregnenolone acetate with 2-aminobenzimidazole” Steroids 117, 71-76 (2017)
Lazny, R., Ratkiewicz, A., Brzezinski, K., Nodzewska, A. and Sidorowicz, K. "An Investigation of the Enolization and Isomeric Products Distribution in the Water Promoted Aldol Reaction of Tropinone and Granatanone" Journal of Chemistry 1-15 (2016) DOI: 10.1155/2016/4674901
Ratkiewicz A., Huynh L. K., Truong T. N. „Performance of First-Principles-Based Reaction Class Transition State Theory” Journal of Physical Chemistry B 120 (8), 1871–1884 (2016)
Mai T.V.-T., Ratkiewicz A., Duong M., Huynh L. K. “Direct ab initio study of the C₆H₆ + CH₃/C₂H₅= C₆H₅ + CH₄/C₂H₆reactions” Chemical Physics Letters 646, 102‑109 (2016)
Sidorowicz K., Ratkiewicz A., Nodzewska A., Łaźny R. "Determination of the N-invertomer stereochemistry in N-substituted nortropanones and norgranatanones using computational and NMR methods”, Comptez Rendus Chimie 18(6), 693-704 (2015)
Le X.T., Mai T.V.T., Ratkiewicz A., Huynh L.K. “Mechanism and kinetics of low-temperature oxidation of a biodiesel surrogate: Methyl propanoate radicals with oxygen molecule” Journal of Physical Chemistry A, 119(16), 3689–3703 (2015)
Sidorowicz K.,Łaźny R., Nodzewska A., Wołosewicz K., Ratkiewicz A., Urbanczyk-Lipkowska Z., Kalicki P. “Isomerisationand configurational assignment of 2-alkyltropane and 2-alkylgranatane derivedhydrazones” Tetrahedron 71(32), 5148–5158 (2015)
Mai, T. V.-T., Duong,M., Le, X. T., Huynh, L. K., Ratkiewicz, A. “Direct ab-initio Dynamics Calculations of Thermal Rate Constants for the CH₄ + O₂ -> CH₃ + HO₂ reaction”, Structural Chemistry 259(5), 1495-1503 (2014)
Ratkiewicz, A. “First Principles Kinetics of Alkyl Radicals – An Application of the RC-TST Method”, Chemik 68(5), 453-458 (2014)
Łaźny, R., Wołosewicz, K., Ratkiewicz, A., Pióro, D., Stocki, M. „Synthesis and isomer distribution of 2-alkyltropinones and 2-alkylgranatanones”, Tetrahedron 70(3), 597-607 (2014)
Ratkiewicz, A. „First Principles Kinetics Of n-Octyl Radicals”, Progress In Reaction Kinetics And Mechanism, 38(4), 323-341 (2013)
Ratkiewicz, A. “Kinetics of 1,6-Hydrogen Migration in Alkyl Radical Reaction Class”, Reaction Kinetics, Mechanisms and Catalysis 108, 545-564 (2013)
Ratkiewicz, A., Huynh, L. K., Pham, Q. B., Truong, T. N. “Kinetics of the Hydrogen Abstraction •C₂H₅ + Alkane → C₂H₆ + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory”, Theoretical Chemistry Accounts 132(3), 1-17 (2013)
Łaźny,R., Ratkiewicz, A., Nodzewska, A.Wysocka, J. “A DFT study of the origins of the stereoselectivity in the aldol reaction of bicyclic amino ketones in the presence of water” Tetrahedron Letters, 55, 5871-5874 (2012)
Łaźny, R., Ratkiewicz, A., Nodzewska, A., Wynimko, A., Siergiejczyk, L. “Determination of the N-methyl stereochemistry in tropane and granatane derivatives in solution: a computational and NMR spectroscopic study” Tetrahedron 68, 6158 (2012)
Ratkiewicz, A., Truong, T. N. “Kinetics of the C-C Bond Beta Scission Reactions in Alkyl Radical Reaction Class” Journal of Physical Chemistry A 116, 6643–6654 (2012)
Ratkiewicz, A., Truong, T. N. “A canonical form of the complex reaction mechanism” Energy 43, 64-72 (2012)
Ratkiewicz, A., Bankiewicz, B. “Kinetics of 1,5-Hydrogen Migration in the Alkyl Radical Reaction Class” Journal of Physical Chemistry A 116, 242-254 (2012)
Ratkiewicz, A. “Kinetics of the C-C bond beta scission reactions in alkyl radicals” Physical Chemistry Chemical Physics 13, 15037-15046 (2011)
Ratkiewicz, A., Bieniewska, J., Truong, T. N. “Abstraction R-OH + H → R⋅-OH + H₂ Reaction Class: An Application of the Reaction Class Transition State Theory” International Journal of Chemical Kinetics 43(2), 78-98 (2011)
Ratkiewicz, A., Truong, T. N. “Kinetics of the hydrogen abstraction R−OH + H → R−O•+ H₂ reaction class”, International Journal of Chemical Kinetics 42, 414-429 (2010)
Ratkiewicz, A., Bankiewicz, B., Truong, T. N. “Kinetics of thermoneutral intramolecular hydrogen migration in alkyl radicals” Physical Chemistry Chemical Physics 12, 10988-10995 (2010)
Ratkiewicz, A., “A generic interface between automated mechanism generator and quantum chemistry based tools for obtaining rates constants” COST Action CM901: Detailed Chemical Kinetic Models for Cleaner Combustion: 1^st Annual meeting 15,16 & 17 September 2010 ENSIC, Nancy, Book of Abstracts 28-29 (2010)
Bankiewicz, B., Huynh, L. K., Ratkiewicz, A., Truong, T. N “Kinetics of 1,4-Hydrogen Migration in the Alkyl Radical Reaction Class” Journal of Physical Chemistry A 113, 1564-1573 (2009)
Muszyńska, M., Ratkiewicz, A., Huynh, L. K., Truong, T. N. “Kinetics of the Hydrogen Abstraction C₂H₃ + Alkane -> C₂H₄ + Alkyl Radical Reaction Class” Journal of Physical Chemistry A 113, 8327-8336 (2009)
L. K. Huynh, S. Panasewicz, A. Ratkiewicz, T.N. Truong “Ab Initio Study on the Kinetics of Hydrogen Abstraction for the H + Alkene → H₂ + Alkenyl Reaction Class” Journal of Physical Chemistry A; 111(11); 2156-2165 (2007)
L. K. Huynh, A. Ratkiewicz, T. N. Truong “Kinetics of the Hydrogen Abstraction OH + Alkane → H₂O + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory”, Journal of Physical Chemistry A; 110(2); 473-484 (2006)
Ratkiewicz A., Truong T. N. “Automated mechanism generation: From symbolic calculation to complex chemistry” International Journal of Quantum Chemistry, 106, 244-255 (2006)
Ratkiewicz A., Truong T.N. 2003, Applications of chemical graph theory for automated mechanism generation. J.Chem.Inf. & Computer Sci. 43: 36-44.
Ratkiewicz A., Niedzielski J., Turulski J., “Effect of a homonuclear molecule on the rate of ion capture”, Chem.Phys., 263, 317-325 (2001)
Ratkiewicz A., Niedzielski J., Turulski J., “Isotope effects in the ion/molecule capture”, Int.J.Mass Spectrom. Ion Processes , 184, 75-81 (1999)
Pezler B., Niedzielski J., Ratkiewicz A., Turulski J., Temperature dependence of the charge-linear dipole capture rate constant CHEM PHYS 1997, 222, 215-221
Ratkiewicz A., Turulski J., Niedzielski J., “Non-adiabatic effects in the reactions of strongly polar ions with molecule” J.Chem.Soc. Faraday Trans., (1996), 92, 4155-4158,
Ratkiewicz A., Niedzielski J., Turulski J., “Non-adiabatic Effects in Ion-Molecule Reactions” INT J MASS SPECTROM ION PROC, (1995), 142(1-2), 31-39
Ratkiewicz A., Turulski J., Niedzielski J., “Non-adiabatic effects in ion/ molecule reactions” Int. J. Mass Spectrom. Ion Processes, 139, 155-162, (1995)