Research interests:


  • University of Lodz, Department of Theoretical and Structural Chemistry
  • Bialystok University of Technology, Division of Chemistry
  • Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan
  • Center for Structural Genomics of Infectious Diseases (CSGID) at Argonne National Laboratory/University of Chicago, USA
  • Center for Cancer Research, National Cancer Institute/Argonne National Laboratory, Argonne, IL 60439, USA
  • Department of Chemistry, National Institute of Technology, Rourkela 769008, Odisha, India


Krzysztof Brzeziński, Grant NCN: OPUS nr 2013/09/B/NZ1/01880 pt. „The active center and beyond: towards new selective inhibitors of S-adenosyl-L-homocysteine hydrolase. Structural enzymological studies”, 
Lead time: 2014 - 2017, allocated budget: 502 065 PLN

Krzysztof Brzeziński, Grant NCN: SONATA BIS nr 2018/30/E/NZ1/00729 "Inhibition of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa by targeting the enzyme dynamics"
Lead time: 2019 - 2023, allocated budget: 3 181 200 PLN

Conferences organized by team members

  • ІX International Scientific-Technical Conference “Advance in Petroleum and Gas Industry and Petrochemistry”;
    May 14-18, 2018 (http://apgip.org.ua/en/apgip-9-home/) – Krzysztof Brzeziński
  • I International Summer School “Biocrystallography for the high-throughput era”; July 1-5, 2014 (biocrystallography.org.pl) – Krzysztof Brzeziński, Sławomir Wojtulewski
  • I International Summer School “Organic Photovoltaics – from molecules to solar cells”; July 1-3, 2014 (photovoltaics.org.pl) – Krzysztof Brzeziński, Sławomir Wojtulewski
  • Conference „Trends in BioNanoTechno” accompanying the opening ceremony of the Centre for Synthesis and Analysis "BioNanoTechno" of the University of Bialystok (http://biol-chem.uwb.edu.pl/nano/conference.php) –  Krzysztof Brzeziński
Head of the Department
PhD students

Raczynska J., Imiolczyk B., Komorowska M., Sliwiak J., Czyrko-Horczak J., Brzezinski K., Jaskolski M. "Flexible loops of New Delhi metallo-β-lactamase modulate its activity towards different substrates"  International Journal of Biological Macromolecules 158, 104-115, (2020)
Regulska E., Olejnik P., Zubyk H., Czyrko-Horczak J., Chaur M., Tomczykowa M., Butsyk O., Brzezinski K., Echegoyen L., Plonska-Brzezinska M.E. "Nanostructural catalyst: metallophthalocyanine and carbon nano-onion with enhanced visible-light photocatalytic activity towards organic pollutants" RSC Advances 10, 10910-10920, (2020)
Jamroz D., Fischer-Durand N., Palusiak M., Wojtulewski S., Jarzynski S., Stepniewska M., Salmain M., Rudolf B.  "Inverse electron-demand Diels-Alder (iEDDA) bioorthogonal conjugation of half-sandwich transition metallocarbonyl entities to a model protein" Appl Organomet Chem. (2020) DOI: Artn E5507 10.1002/Aoc.5507
Wzgarda-Raj K., Rybarczyk-Pirek A. J., Wojtulewski S., Palusiak M. "C—Br...S halogen bonds in novel thio­urea N-oxide cocrystals: analysis of energetic and QTAIM parameters" Acta Crystallographica Section C 76(2), 170-176, (2020)
Świderski G., Wojtulewski S., Kalinowska M., Świsłocka R., Wilczewska A.Z., Pietryczuk A., Cudowski A., Lewandowski W. "The influence of selected transition metal ions on the structure, thermal and microbiological properties of pyrazine-2-carboxylic acid" Polyhedron 175, 114173, (2020)
Bakhat S., Mohanty M., Banerjee A., Biswal S., Horn A. Jr, Schenk G., Brzezinski K., Sinn E., Reuter H., Dinda R. "Polynuclear Zinc(II) complexes of thiosemicarbazone: Synthesis, X–ray structure and biological evaluation" Journal of Inorganic Biochemistry 203, 110908 (2020) DOI: 10.1016/j.jinorgbio.2019.110908
Basa A., Wojtulewski S., Kalska-Szostko B., Perkowski M., Gonzalo E., Chernyayeva O., Kuhn A., Garc ́ıa-Alvarado F. "Carbon coating of air-sensitive insulating transition metal fluorides: an example study on alpha-Li3FeF6 high-performance cathode for lithium ion batteries" Journal of Materials Science & Technology (2019)
Mohanty M., Maurya S.K., Banerjee A., Aradhana Patra S., Maurya M.R., Crochet A., Brzezinski K., Dinda R. "In vitro cytotoxicity and catalytic evaluation of dioxidovanadium(V) complexes in azohydrazone ligand environment" New Journal of Chemistry 43, 17680-17695, (2019)
Wzgarda-Raj K., Rybarczyk-Pirek A. J., Wojtulewski S., Palusiak M. "Crystal structure of 3,6-bis(pyridin-2-yl)-1,4-di-hydro-1,2,4,5-tetrazine" Acta Crystallographica Section E - Crystallographic Communications 75, 86-88 (2019)
Rybarczyk-Pirek A. J., Łukomska-Rogala M., Wzgarda-Raj K., Wojtulewski S., Palusiak M. "Does Proton Transfer Always Take Place in Molecules of 2-Substituted Pyridine-N-oxides? The Case of 2-Aminopyridine-N-oxide Crystal Structure and Its 3,5-Dinitrobenzoic Acid Co-crystal" Cryst. Growth Des., 18 (12), 7373–7382 (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
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)
Czyrko J., Sliwiak J., Imiolczyk B., Gdaniec Z., Jaskolski M., Brzezinski K. "Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa"  Scientific Reports 8, 11334 (2018)
Walejko P., Paradowska K., Szeleszczuk L., Wojtulewski S., Baj A. "Racemic Crystals of Trolox Derivatives Compared to Their Chiral Counterparts: Structural Studies Using Solid-State Nmr, Dft Calculations and X-Ray Diffraction" Journal of Molecular Structure 1156 , 290-300 (2018)
Wzgarda-Raj K., Rybarczyk-Pirek A. J., Wojtulewski S., Palusiak M. "N-Oxide-N-Oxide Interactions and Cl Center Dot Center Dot Center Dot Cl Halogen Bonds in Pentachloropyridine N-Oxide: The Many-Body Approach to Interactions in the Crystal State" Acta Crystallographica Section C-Structural Chemistry 74 , 113-19 (2018)
Bobrowska D.M., Czyrko J., Eljaszewicz A., Grubczak K., Wlodarczyk J., Moniuszko M., Brzezinski K., Plonska-Brzezinska M.E. "1,2,3,4,6-Penta-O-galloyl-β -D-glucopyranose: Its Anti-Inflammatory and Antibacterial Properties" ChemistrySelect 3, 2498 – 2501 (2018)
Majumder S., Pasayat S., Roy S., Dash S., Dhaka S., Maurya M., Reichelt M., Reuter H., Brzezinski K., Dinda R. "Dioxidomolybdenum(VI) complexes bearing stericallyconstrainedaroylazine ligands: Synthesis, structural investigation andcatalytic evaluation"Inorganica Chimica Acta  469, 366-378 (2018)
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)
Bobrowska D., Brzezinski K., Plonska-Brzezinska M.E. "PEGylated carbon nano-onions composite as a carrier of polyphenolic compounds: a promising system for medical applications and biological sensors" Colloid and Interface Science Communications 21, 6-9 (2017)
Brzezinski K., Czyrko J., Sliwiak J., Nalewajko-Sieliwoniuk E., Jaskolski M., Nocek B., Dauter Z. "S-adenosyl-L-homocysteine hydrolase from a hyperthermophile (Thermotoga maritima) is expressed in Escherichia coli in inactive form - Biochemical and structural studies" International Journal of Biological Macromolecules 104, 584-596 (2017) 

Mykhailiv O., Zubyk H., Brzezinski K., Gras M., Lota G., Gniadek M., Romero E., Echegoyen L., Plonska-Brzezinska M. E. "Improvement of the structural and chemical properties of carbon nano-onions for its application in electrocatalysis" ChemNanoMat 3(8), 583–590 (2017)

Mykhailiv O., Brzezinski K., Sulikowski B., Olejniczak Z., Gras M., Lota G., Molina-Ontoria A., Jakubczyk M., Echegoyen L., Plonska-Brzezinska M.E. "Boron-doped polygonal carbon nano-onions: synthesis and applications in electrochemical energy storage" Chemistry – A European Journal 23, 7132-7141 (2017)
Bobrowska D. M., Brzezinski K.,Echegoyen L., Plonska-Brzezinska M. E. "A new perspective on carbon nano-onion/nickel hydroxide/oxide composites: physicochemical properties and application in hybrid electrochemical systems" Fullerenes Nanotubes and Carbon Nanostructures 3, 193-203 (2017)
Bobrowska D.M., Czyrko J., Brzezinski K.,  Echegoyen L., Plonska-Brzezinska M. E. "Carbon nano-onion composites: physicochemical characteristics and biological activity" Fullerenes, Nanotubes and Carbon Nanostructures 3, 185-192 (2017)
Wojtkielewicz A., Uścinowicz P., Siergiejczyk L., Kiełczewska U., Ratkiewicz A., MorzyckiJ. W. „The studies on the reaction of 16-dehydropregnenolone acetate with 2-aminobenzimidazole” Steroids 117, 71-76 (2017)
Bankiewicz B., Wojtulewski S., Markiewicz K. H., Wilczewska A. Z. "Carbamohydrazonothioate derivative—experimental and theoretical explorations of the crystal and molecular structure" Structural Chemistry 28 (3), 802-812 (2017) 
Świderski G., Lewandowska H., Świsłocka R., Wojtulewski S., Siergiejczyk L., Wilczewska A.Z., Misztalewska I. "Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)" Arabian Journal of Chemistry, DOI: 10.1016/j.arabjc.2016.06.011, (in press)
Markiewicz K.H., Zembko P., Półtorak K., Misztalewska I., Wojtulewski S., Majcher A.M., Fornal E., Wilczewska A.Z. "Magnetic nanoparticles with chelating shells prepared by RAFT/MADIX polymerization" New Journal of Chemistry, (2016), Advance Article  doi:10.1039/C6NJ01938B 2016,40, 9223-9231
Świderski G., Lewandowska H., Świsłocka R., Wojtulewski S., Siergiejczyk L., Wilczewska A. "Thermal, spectroscopic (IR, Raman, NMR) and theoretical (DFT) studies of alkali metal complexes with pyrazinecarboxylate and 2,3-pyrazinedicarboxylate ligands" Journal of Thermal Analysis and Calorimetry 126, (2016) 1, 205–224
Kubicka A., Fomal E., Olejniczak A. B., Rybarczyk-Pirek, A. J., Wojtulewski S., Rudolf B. "Oxa-Michael reaction of metallocarbonyl complexes bearing the maleimidato ligand. Reactivity studies with selected hydroxy compounds" POLYHEDRON 107, (2016), 38-47, DOI: 10.1016/j.poly.2016.01.012
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" (2016) Journal of Chemistry 1-15 doi: 10.1155/2016/4674901
Mai T.V.-T., Ratkiewicz A., Duong M., Huynh L. K. “Direct ab initio study of the C6H6 + CH3/C2H5= C6H5 + CH4/C2H6 reactions” Chemical Physics Letters 646, 102‑109 (2016) 
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) 
Jaworski J. S., Bankiewicz B., Krygowski T. M., Palusiak M., Stasyuk O. A., Szatyłowicz H. "Interactions of polar hydrogen bond donor solvents with ions: a theoretical study'' Structural Chemistry 27(4), 1279-1289 (2016)
Dash S.P., Majumder S., Banerjee A., Carvalho M.F.N.N, Adão P., Pessoa J.C., Brzezinski K., Garribba E., Reuter H., Dinda R. "Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior" Inorganic Chemistry 55, 1165-1182 (2016)
Rudolf B., Kubicka A., Salmain M., Palusiak M., Rybarczyk-Pirek A., Wojtulewski S., "Synthesis and characterization of new M(II) carbonyl complexes (M = Fe or Ru) including an η1-N-maleimidato ligand. Reactivity studies with biological thiols" Journal of Organometallic Chemistry, 801(1), 101-110 (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)

Plonska-Brzezinska M.E., Bobrowska D.M., Sharma A., Rodziewicz P., Tomczyk M., Czyrko J., Brzezinski K. "Triple helical collagen-like peptide interactions with selected polyphenolic compounds" RSC Advances 5, 95443–95453 (2015)

Rybarczyk-Pirek A. J., Łukomska-Rogala M., Wojtulewski S., Palusiak M. "N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals" Crystal Growth and Design, 15(12), 5802-5815 (2015)

Świderski G., Kalinowska M., Świsłocka R., Wojtulewski S., Lewandowski W. ''The experimental and theoretical study on the influence of alkali metals on the electronic charge distribution in five-membered aromatic acids (2-thiophenecarboxylic, 2-furanecarboxylic and 2-pyrrolecarboxylic acids)" POLYHEDRON, 97, 118-139, (2015)

Matczak P., WojtulewskiS. ''Performance of Møller-Plesset second-order perturbation theory and density functional theory in predicting the interaction between stannylenes and aromatic molecules”. Journal of Molecular Modeling 21(3), 1-20, (2015)

Krygowski T. M., Bankiewicz B., Czarnocki Z., Palusiak M., ''Quasi-Aromaticity – What Does It Mean?Tetrahedron 71, 4895-4908 (2015)

Turulski, J. "Dimension of the Gibbs function topological manifold: 1. Graph representation of the thermodynamic equilibrium state", Journal of Mathematical Chemistry 53(2), 495-513 (2015)

Turulski, J. "Dimension of the Gibbs function topological manifold: 2. Thermodynamically stable binary quasicrystals: Reality or artefact?", Journal of Mathematical Chemistry 53(2), 517-526 (2015)


Regulska, E.; Kalinowska, M.; Wojtulewski, S.; Korczak, A.; Sienkiewicz-Gromiuk, J.; Rzaczynska, Z.; Swislocka, R.; Lewandowski, W. “Theoretical (in B3LYP/6-3111++G** level), spectroscopic (FT-IR, FT-Raman) and thermogravimetric studies of gentisic acid and sodium, copper(II) and cadmium(II) gentisates” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 132, 713-725 (2014)
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)
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)
Bankiewicz B., Rybarczyk-Pirek A., Małecka M., Domagała M., Palusiak M.,Zastosowanie topologicznej analizy gęstości elektronowej do opisu oddziaływań niekowalencyjnych” Wiadomości Chemiczne 68(5-6), 481-510 (2014)
Ratkiewicz, A. „First Principles Kinetics Of n-Octyl Radicals”, Progress In Reaction Kinetics And Mechanism, 38(4), 323-341 (2013)Świderski G., Kalinowska M., Świsłocka R., Wojtulewski S., Lewandowski W., "Spectroscopic (FT-IR, FT-Raman and 1H and 13C NMR) and theoretical in MP2/6-311++G(d,p) and B3LYP/6-311++G(d,p) levels study of benzenesulfonic acid and alkali metal benzenesulfonates", Spectrochimica Acta Part A 100 (2013) 41-50
Dubis A.T., Wojtulewski S., Filipkowski K."Spectroscopic and theoretical studies on the aromaticity of pyrrol-2-yl-carbonyl conformers", Journal of Molecular Structure1041 92-99 (2013)
Bankiewicz B., Palusiak M.,Theshape of the halogen atom – anisotropy of electron distribution and itsdependence on basis set and method used,  Structural Chemistry 24(4), 1297-1306 (2013)
Tomkiel A., Brzezinski K., Łotowski Z., Siergiejczyk L., Wałejko P., Witkowski S., Kowalski J., Płoszyńska J., Sobkowiak A. , Morzycki J. W. "Electrochemical synthesis of glycoconjugates of 3β-hydroxy-D5-steroids by using non-activated sugars and steroidal thioethers",Tetrahedron 69, 8904-8913 (2013)
Brzezinski, K., Lazny, R., Nodzewska, A., Sidorowicz, K. "Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones"Acta Crystallogr.C69303-306 (2013).
Brus D. M., Czyrko J., Brzezinski, K. "Tetraethylammonium toluene-4-sulfonate", Acta Crystallogr. E69, o324 (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)


Lazny, R., Wolosewicz, K., Dauter, Z., Brzezinski, K. "(1RS,2SR,5SR)-9-Benzyl-2-[(1RS)-1-hydroxybenzyl]-9-azabicyclo[3.3.1]nonan-3-one from synchrotron data" (2012). Acta Crystallogr. E68, o1367.

Kozlowska, M., Rodziewicz, P., Brus, D. M., Breczko, J., Brzezinski, K. "Bis(2,2:6,2-terpyridine)ruthenium(II) bis(perchlorate) hemihydrate" (2012). Acta Crystallogr. E68, m1414-m1415.

Liebschner, D., Brzezinski, K., Dauter, M., Dauter, Z., Nowak, M., Kur, J., Olszewski, M. "Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio" (2012). Acta Crystallogr. D68, 1680-1689.

Kozlowska, M., Rodziewicz, P., Brus, D. M., Czyrko, J., Brzezinski, K. "Tris(1,10-phenanthroline-k2N,N')ruthenium(II) bis(perchlorate)" (2012). Acta Crystallogr. E68, m1570-m1571.

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, 2012, 55, 5871-5874

Brzezinski K., Lazny R., Sienkiewicz M., Wojtulewski S., Dauter Z. "(2R)-8-Benzyl-2-[(S)-hydroxy(phenyl)methyl]-8-azabicyclo-[3.2.1]octan-3-one" – Acta Cryst. (2012). 68, 149-150; (DOI: 10.1107/S1600536811053190)

Bankiewicz B., Matczak P.A., Palusiak M. "Elektron densitycharacteristics in bond critical point (QTAIM) vs. interaction energy components(SAPT) – the case of charge-assisted hydrogen bonding" Journal of Physical Chemistry A, 2012,116 (1), 452–459.

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)

Bankiewicz B., Palusiak M. "Does elektron density in bond criticalpoint reflect the formal charge distribution in H-bridges? The caseof charge-assisted hydrogen bonds (CAHBs)" Computationaland Theoretical Chemistry: 2011, 966, 113-119

Świderski G., Wojtulewski S., Kalinowska M., Świsłocka R., Lewandowski W. "Effect of alkali metal ions on the pyrrole and pyridine p-electron systems in pyrrole-2-carboxylate and pyridine-2-carboxylate molecules: FT-IR, FT-Raman,NMR and theoretical studies", Journal of Molecular Structure 993 (2011) 448–458

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: 1st Annual meeting 15,16 & 17 September 2010 ENSIC, Nancy, Book of Abstracts 28-29 (2010)

Bankiewicz B., Wojtulewski S., Grabowski S. J. "Intramolecular Double Proton Transfer from 2-Hydroxy-2-iminoacetic Acid to 2-Amino-2-oxoacetic Acid"- J.Org. Chem. 75(5), 1419 (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)

Wojtulewski, S.,Świderski, G., Grabowski, S.J. "Intramolecular hydrogen bonds in 2-iminoacetic acid and its derivatives - DFTcalculations and 'Atoms in Molecules' analysis" Journal of Molecular Structure (Teochem), 905 34-39 (2009)

Starsze publikacje

Huynh L. K., Panasewicz S., Ratkiewicz A., Truong T.N. "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)

Huynh L. K., Ratkiewicz A., Truong T. N. "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)

Świderski G., Kalinowska M., Wojtulewski S., Lewandowski.W. "Experimental (FT-IR, FT-Raman, 1H NMR) and theoretical study of magnesium, calcium, strontium, and barium picolinates" Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Available online 10 August 2005

Lewandowski W., Świderski G., Świslocka R., Wojtulewski S., Koczoń P. "Spectroscopic (Raman, FT-IR and NMR) and theoretical study of alkali metal picolinates" Journal of Physical Organic Chemistry (2005)

Wojtulewski S., Grabowski S.J. "Blue-shifting C-H...Y intramolecular hydrogen bonds - DFT and AIM analyses" Chemical Physics 309, 183-188 (2005)

J.Turulski, J.Niedzielski, "Novel type thermodynamically stable phase in complex chemical system", Match, 82, 19-28, (2004)

J.Turulski, J.Niedzielski, "Earth's biodiversity as interpreted by a chemist", J.Math.Chem., 36, 29-40, (2004)

Ratkiewicz A., Truong T.N. "Applications of chemical graph theory for automated mechanism generation" J.Chem.Inf. & Computer Sci. 43: 36-44 (2003)

Wojtulewski S., Grabowski S.J. "DFT and AIM Studies on Two-Ring Resonance Assisted Hydrogen Bonds" Journal of Molecular Structure (Teochem) 621. 285-291 (2003)

Wojtulewski S., Grabowski S.J. "Analysis of different proton donors and proton acceptors for intramoleculalar hydrogen bonds."Chemical Physics Letters 378. 388-394 (2003)

Turulski J., Su T., Niedzielski J., Pezler B. "Classical theories of the ion/linear quadrupole capture" Int.J.Mass Spectrom.216,115-128 (2002)

Turulski J., Niedzielski J. "The use of graph theory in thermodynamics of phase equilibria" J.Chem.Inf. & Computer Sci.:42, 534-539 (2002)

Wiśniewska M.Grabowski S.J. "Hydrogen bonding properties of the complexes of formaldehyde" Monatshefte fur chemie 133: 305-312 (2002)

Wojtulewski S.Grabowski S.J. "Ab initio and AIM studies on intramolecular dihydrogen bonds" J. Molec. Struct. 645: 287-294 (2002)

Wojtulewski S., Grabowski S.J. "Unconventional F-H...π hydrogen bonds - ab initio and AIM study" Journal of Molecular Structure 605, 235-240 (2002)

Grabowski S.J.Wiśniewska M. "The existence of extremely short O-H bond within O-H...O systems" J. Molec. Struct. 559: 201-207 (2001)

Ratkiewicz A., Niedzielski J.,  Turulski J., "Effect of a homonuclear molecule on the rate of ion capture", Chem.Phys., 263, 317-325 (2001)

Turulski J., Niedzielski J., Su T., "Simple capture collision model for cation-anion reactions in the gas phase", Chem.Phys., 264, 197-201, (2001)

Grabowski S. J., Krygowski T. M., "The Proton Transfer Path for C=O...H-O Systems Modelled From Crystal Structure Data" CHEMICAL PHYSICS LETTERS, 305, 247-250 (1999)

Ratkiewicz A., Niedzielski J.,  Turulski J., "Isotope effects in the ion/molecule capture", Int.J.Mass Spectrom. Ion Processes 184, 75-81 (1999)

Grabowski S. J., Krygowski T. M., "Estimation of the Proton Position and the Energy of O-H..O Bridges in Crystals from X-ray Diffraction Data" TETRAHEDRON, 1998, 54, 5683-5694

Krygowski T. M., Grabowski S. J., Konarski J., "Water Molecules as a Gluing Factor in Organic Crystals and Biological Systems" TETRAHEDRON, 1998,  54, 11311-11316

Grabowski S. J., Analysis of C=O...H-O Interactions in Organic Crystal Structures TETRAHEDRON, 1998, Vol. 54, pp 10153-10160

Pezler B., Niedzielski J., Ratkiewicz A.Turulski J., "Temperature dependence of the charge-linear dipole capture rate constant "CHEM PHYS 1997, 222, 215-221

Grabowski S. J., "Simulation of the Orthorhombic Crystal Structure of Acetylene Using Atom-Atom Potential Calculations" J CHEMRES-S, 1996, vol. S , 534-535

Grabowski S. J., Wilamowski J., Osman D., Speioł J. J., Rodier N., Synthesis, Crystal Structure and Intramolecular Interactions of 2-Methyl-3-(2methylphenyl)-but-1-ene-1,1-dicarbonitrile (MMBD) AUST J CHEM, 1996, 49, 951-954

Ratkiewicz A., Turulski J., Niedzielski J., "Non-adiabatic effects in the reactions of strongly polar ions with molecule" J.Chem.Soc. Faraday Trans., 92, 4155-4158, (1996)

Bukowski R., Jeziorski B., Rybak S., Szalewicz K., 2nd-Order Correlation-Energy for H2O Using Explicitly Correlated Gaussian Geminals, J CHEM PHYS, 1995, 102(2), 888-897

Grabowski S. J., Dubis A., Intramolecular C-H..Hydrogen Bonds in the Crystal-Structure of Ethyl 3,4,5-Trimethoxybenzoate (Etmb) POLISH J CHEM, 1995, 69(2), 218-222

Grabowski S. J., Pi-Electrons as an Acceptor of Proton in H-Bonds in the Structure of Acetylene POLISH J CHEM, 1995, Vol 69, Iss 2, pp 223-228

Ratkiewicz A., Niedzielski J., Turulski J., Non-adiabatic Effects in Ion-Molecule Reactions INT J MASS SPECTROM ION PROC, 142(1-2), 31-39 (1995)

Ratkiewicz A., Turulski J., Niedzielski J., "Non-adiabatic effects in ion/ molecule reactions" Int. J. Mass Spectrom. Ion Processes, 139, 155-162, (1995),

Turulski J., Niedzielski J., Pezler B. "The capture rate of an ion by a symmetrical top quadrupole" Chem.Phys.,192, 319-323, (1995),

Turulski J., Niedzielski J., "Transition State Theory of Fast Charge-Transfer Reactions", in "Advances in Classical Trajectory Methods" ed. W. Hase, JAI Press Greenwich, 2, 209-253,(1994)

Turulski J., Niedzielski J., Pezler B., "Transition- State Theory treatment of capture collisions between ions and symmetric top dipolar molecules." J.Chem.Soc.Faraday Trans., 90, 3061-3063, (1994)

Turulski J., Niedzielski J., "The classical langevin rate constant for the ion- molecule capture: when, if at all, is it constant ?"  Int.J. Mass Spectrom. Ion Processes, 139, 155-162, (1994)

Pezler B., Turulski J., Niedzielski J. "Effect of anisotropy of polarizibility of the linear quadrupole molecule on the rate of ion capture" J. Chem.Soc. Faraday Trans., 89, 655-670, (1993)

Turulski J., Mazurek A., Niedzielski J."Effect of the transmission reflection properties of the barrier for the activated complex on the rate" Int. J.Mass Spectr.Ion Processes, 128, 165-171 ,(1993)

Turulski J., Niedzielski J., Sakimoto K. "The rate of ion-linear dipole capture at extremely low temperatures estimated with the use the SACM" Chem.Phys., 177, 387-395, (1993),

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