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Fundamental and Computational Sciences Directorate

Staff information

Bojana Ginovska

Catalysis Science
Scientist, Team Lead
Pacific Northwest National Laboratory
PO Box 999
MSIN: K1-83
Richland, WA 99352

PNNL Publications


  • Reback ML, B Ginovska-Pangovska, GW Buchko, A Dutta, N Priyadarshani, BL Kier, ML Helm, S Raugei, and WJ Shaw. 2016. "Investigating the role of chain and linker length on the catalytic activity of an H2 production catalyst containing a b-hairpin peptide." Journal of Coordination Chemistry 69(11-13):1730-1747.  doi:10.1080/00958972.2016.1188924
  • Shin Y, W Liu, B Schwenzer, S Manandhar, DG Chase-Woods, MH Engelhard, R Devanathan, LS Fifield, WD Bennett, B Ginovska-Pangovska, and DW Gotthold. 2016. "Graphene oxide membranes with high permeability and selectivity for dehumidification of air." Carbon 106:164-170.  doi:10.1016/j.carbon.2016.05.023
  • Cardenas AJ, B Ginovska-Pangovska, N Kumar, J Hou, S Raugei, ML Helm, AM Appel, RM Bullock, and MJ O'Hagan. 2016. "Controlling Proton Delivery with Catalyst Structural Dynamics." Angewandte Chemie International Edition 55(43):13509-13513.  doi:10.1002/anie.201607460
  • Cornish AJ, B Ginovska-Pangovska, A Thelen, JC Da Silva, TA Soares, S Raugei, M Dupuis, WJ Shaw, and EL Hegg. 2016. "Single Amino Acid Modifications Reveal Additional Controls on the Proton Pathway of [FeFe]-hydrogenase." Biochemistry 55(22):3165-3173.  doi:10.1021/acs.biochem.5b01044
  • Dutta A, B Ginovska-Pangovska, S Raugei, JA Roberts, and WJ Shaw. 2016. "Optimizing Conditions for Utilization of an H2 Oxidation Catalyst with Outer Coordination Sphere Functionalities." Dalton Transactions 45(24):9786-9793.  doi:10.1039/C6DT00280C
  • Ginovska-Pangovska B, S Raugei, and WJ Shaw. 2016. "Molecular Dynamics Studies of Proton Transport in Hydrogenase and Hydrogenase Mimics." Chapter 4 in Methods in Enzymology: Computational Approaches for Studying Enzyme Mechanism Part B, vol. 578, ed. GA Voth, pp. 73-101.  Academic Press, CAMBRIDGE, MA.  doi:10.1016/bs.mie.2016.05.044
  • Priyadarshani N, A Dutta, B Ginovska-Pangovska, GW Buchko, MJ O'Hagan, S Raugei, and WJ Shaw. 2016. "Achieving Reversible H2/H+ Interconversion at Room Temperature with Enzyme-Inspired Molecular Complexes: A Mechanistic Study." ACS Catalysis 6(9):6037-6049.  doi:10.1021/acscatal.6b01433
  • Wongnate T, D Sliwa, B Ginovska-Pangovska, DMA Smith, MW Wolf, N Lehnert, and S Raugei. 2016. "The Radical Mechanism of Biological Methane Synthesis by Methyl-Coenzyme M Reductase." Science 352(6288):953-958.  doi:10.1126/science.aaf0616


  • Priyadarshani N, B Ginovska-Pangovska, JT Bays, JC Linehan, and WJ Shaw. 2015. "Photoswitching a Molecular Catalyst to Regulate CO2 Hydrogenation." Dalton Transactions 44(33):14854-14864.  doi:10.1039/c5dt01649e
  • Ginovska-Pangovska B, T Autrey, KK Parab, ME Bowden, RG Potter, and DM Camaioni. 2015. "Heterolysis of H2 Across a Classical Lewis Pair, 2,6-Lutidine-BCl3: Synthesis, Characterization, and Mechanism." Chemistry - A European Journal 21(4):15713-15719.  doi:10.1002/chem.201501899


  • Ginovska-Pangovska B, MH Ho, JC Linehan, Y Cheng, M Dupuis, S Raugei, and WJ Shaw. 2014. "Molecular Dynamics Study of the Proposed Proton Transport Pathways in [FeFe]-Hydrogenase." Biochimica et Biophysica Acta--Bioenergetics 1837(1):131-138.  doi:10.1016/j.bbabio.2013.08.004
  • Ginovska-Pangovska B, A Dutta, ML Reback, JC Linehan, and WJ Shaw. 2014. "Beyond the Active Site: The Impact of the Outer Coordination Sphere on Electrocatalysts for Hydrogen Production and Oxidation." Accounts of Chemical Research 47(8):2621-2630.  doi:10.1021/ar5001742
  • Reback ML, GW Buchko, BL Kier, B Ginovska-Pangovska, Y Xiong, S Lense, J Hou, JA Roberts, CM Sorensen, S Raugei, TC Squier, and WJ Shaw. 2014. "Enzyme Design From the Bottom Up: An Active Nickel Electrocatalyst with a Structured Peptide Outer Coordination Sphere." Chemistry - A European Journal 20(6):1510-1514.  doi:10.1002/chem.201303976


  • Dang LX, X Sun, B Ginovska-Pangovska, HV Annapureddy, and TB Truong. 2013. "Understanding ion-ion interactions in bulk and aqueous interfaces using molecular simulations." Faraday Discussions 160(0):151-160.  doi:10.1039/c2fd20093g
  • Reback ML, B Ginovska-Pangovska, MH Ho, A Jain, TC Squier, S Raugei, JA Roberts, and WJ Shaw. 2013. "The Role of a Dipeptide Outer-Coordination Sphere on H2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer." Chemistry - A European Journal 19(6):1928-1941.  doi:10.1002/chem.201202849


  • Jain A, GW Buchko, ML Reback, MJ O'Hagan, B Ginovska-Pangovska, JC Linehan, and WJ Shaw. 2012. "Active Hydrogenation Catalyst with a Structured, Peptide-Based Outer-Coordination Sphere." ACS Catalysis 2(10):2114-2118.  doi:10.1021/cs3004177
  • Camaioni DM, B Ginovska-Pangovska, GK Schenter, SM Kathmann, and T Autrey. 2012. "Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl) ." Journal of Physical Chemistry A 116(26):7228-7237.  doi:10.1021/jp3039829
  • Dang LX, BT Truong, and B Ginovska-Pangovska. 2012. "Note: Interionic Potentials of Mean Force for Ca2+-Cl- in Polarizable Water." Journal of Chemical Physics 136(12):Article No. 126101.  doi:10.1063/1.3697840
  • Kangas LJ, TO Metz, G Isaac, BT Schrom, B Ginovska-Pangovska, L Wang, L Tan, RR Lewis, and JH Miller. 2012. "In Silico Identification Software (ISIS): A Machine Learning Approach to Tandem Mass Spectral Identification of Lipids." Bioinformatics 28(13):1705-1713.  doi:10.1093/bioinformatics/bts194
  • Raugei S, S Chen, MH Ho, B Ginovska-Pangovska, RJ Rousseau, M Dupuis, DL DuBois, and RM Bullock. 2012. "The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes." Chemistry - A European Journal 18(21):6493-6506.  doi:10.1002/chem.201103346


  • Ginovska-Pangovska B, DM Camaioni, and M Dupuis. 2011. "About the Barriers to Reaction of CCl4 with HFeOH and FeCl2." Journal of Physical Chemistry A 115(31):8713-8720.  doi:10.1021/jp2019928
  • Schrom BT, LJ Kangas, B Ginovska, TO Metz, and JH Miller. 2011. "Charge Prediction of Lipid Fragments in Mass Spectrometry." In 10th International Conference on Machine Learning and Applications and Workshops (ICMLA 2011), December 18-21, 2011, Honolulu, Hawaii, vol. 2, pp. 186-188.  IEEE, Piscataway, NJ.  doi:10.1109/ICMLA.2011.45


  • Camaioni DM, B Ginovska, and M Dupuis. 2009. "Modeling the Reaction of Fe Atoms with CCl4 ." Journal of Physical Chemistry C 113(5):1830-1836. 


  • Ginovska B, DM Camaioni, and M Dupuis. 2008. "The H2O2+OH ? HO2+H2O reaction in aqueous solution from a charge-dependent continuum model of solvation ." Journal of Chemical Physics 129(1):Article Number: 014506 . 
  • Ginovska B, DM Camaioni, M Dupuis, CA Schwerdtfeger, and Q Gilcrease. 2008. "Charge-Dependent Cavity Radii for an Accurate Dielectric Continuum Model of Solvation with Emphasis on Ions: Aqueous Solutes with Oxo, Hydroxo, Amino, Methyl, Chloro, Bromo and Fluoro Functionalities." Journal of Physical Chemistry A 112(42):10604-10613.  doi:10.1021/jp804092v


  • Ginovska B, DM Camaioni, and M Dupuis. 2007. "Reaction Pathways and Excited States in H2O2+OH ? HO2+H2O : A New ab initio Investigation ." Journal of Chemical Physics 127(8):084309, 1-9.  doi:10.1063/1.2755765

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