| Direct scaling of primitive valence force constants: an alternative approach to scaled quantum mechanical force fields J Baker, AA Jarzecki, P Pulay The Journal of Physical Chemistry A 102 (8), 1412-1424, 1998 | 624 | 1998 |
| Theoretical investigation of iron isotope fractionation between Fe (H2O) 63+ and Fe (H2O) 62+: implications for iron stable isotope geochemistry AD Anbar, AA Jarzecki, TG Spiro Geochimica et Cosmochimica Acta 69 (4), 825-837, 2005 | 270 | 2005 |
| Synthesis, characterization, and in vitro antimalarial and antitumor activity of new ruthenium (II) complexes of chloroquine CSK Rajapakse, A Martinez, B Naoulou, AA Jarzecki, L Suarez, ... Inorganic chemistry 48 (3), 1122-1131, 2009 | 147 | 2009 |
| An oxyferrous heme/protein-based radical intermediate is catalytically competent in the catalase reaction of Mycobacterium tuberculosis catalase-peroxidase (KatG) J Suarez, K Ranguelova, AA Jarzecki, J Manzerova, V Krymov, X Zhao, ... Journal of Biological Chemistry 284 (11), 7017-7029, 2009 | 141 | 2009 |
| Vibrational assignment and definite harmonic force field for porphine. 1. Scaled quantum mechanical results and comparison with empirical force field PM Kozlowski, AA Jarzecki, P Pulay The Journal of Physical Chemistry 100 (17), 7007-7013, 1996 | 139 | 1996 |
| DFT-SQM force field for nickel porphine: Intrinsic ruffling PM Kozlowski, TS Rush, AA Jarzecki, MZ Zgierski, B Chase, C Piffat, ... The Journal of Physical Chemistry A 103 (10), 1357-1366, 1999 | 129 | 1999 |
| Vibrational assignment and definite harmonic force field for porphine. 2. Comparison with nonresonance Raman data PM Kozlowski, AA Jarzecki, P Pulay, XY Li, MZ Zgierski The Journal of Physical Chemistry 100 (33), 13985-13992, 1996 | 121 | 1996 |
| DFT Analysis of Fe(H2O)63+ and Fe(H2O)62+ Structure and Vibrations; Implications for Isotope Fractionation AA Jarzecki, AD Anbar, TG Spiro The Journal of Physical Chemistry A 108 (14), 2726-2732, 2004 | 120 | 2004 |
| Structural dependence of Mn complexation by siderophores: donor group dependence on complex stability and reactivity JM Harrington, DL Parker, JR Bargar, AA Jarzecki, BM Tebo, G Sposito, ... Geochimica et Cosmochimica Acta 88, 106-119, 2012 | 83 | 2012 |
| Titanocene–Phosphine Derivatives as Precursors to Cytotoxic Heterometallic TiAu2 and TiM (M = Pd, Pt) Compounds. Studies of Their Interactions with DNA JF González-Pantoja, M Stern, AA Jarzecki, E Royo, E Robles-Escajeda, ... Inorganic chemistry 50 (21), 11099-11110, 2011 | 82 | 2011 |
| The inner-hydrogen migration in free base porphyrin J Baker, PM Kozlowski, AA Jarzecki, P Pulay Theoretical Chemistry Accounts 97, 59-66, 1997 | 79 | 1997 |
| Heme-based sensors: theoretical modeling of heme-ligand–protein interactions TG Spiro, AA Jarzecki Current Opinion in Chemical Biology 5 (6), 715-723, 2001 | 75 | 2001 |
| Thermal rearrangements of norcaradiene AA Jarzȩcki, J Gajewski, ER Davidson Journal of the American Chemical Society 121 (29), 6928-6935, 1999 | 71 | 1999 |
| The exceptionally stable cobalt (III)–desferrioxamine B complex OW Duckworth, JR Bargar, AA Jarzecki, O Oyerinde, TG Spiro, G Sposito Marine Chemistry 113 (1-2), 114-122, 2009 | 64 | 2009 |
| Quantum Chemical Evaluation of Protein Control over Heme Ligation: CO/O2 Discrimination in Myoglobin F De Angelis, AA Jarzecki, R Car, TG Spiro The Journal of Physical Chemistry B 109 (7), 3065-3070, 2005 | 62 | 2005 |
| Porphyrin Distortion from Resonance Raman Intensities of Out-of-Plane Modes: Computation and Modeling of N-Methylmesoporphyrin, a Ferrochelatase … AA Jarzȩcki, TG Spiro The Journal of Physical Chemistry A 109 (3), 421-430, 2005 | 57 | 2005 |
| Spectroscopic studies of the anaerobic enzyme− substrate complex of catechol 1, 2-dioxygenase GP Horsman, A Jirasek, FH Vaillancourt, CJ Barbosa, AA Jarzecki, C Xu, ... Journal of the American Chemical Society 127 (48), 16882-16891, 2005 | 51 | 2005 |
| Trace metal complexation by the triscatecholate siderophore protochelin: structure and stability JM Harrington, JR Bargar, AA Jarzecki, JG Roberts, LA Sombers, ... Biometals 25, 393-412, 2012 | 48 | 2012 |
| Modeling of ligation-induced helix/loop displacements in myoglobin: toward an understanding of hemoglobin allostery V Guallar, AA Jarzecki, RA Friesner, TG Spiro Journal of the American Chemical Society 128 (16), 5427-5435, 2006 | 46 | 2006 |
| Density functional based vibrational study of conformational isomers: Molecular rearrangement of benzofuroxan G Rauhut, AA Jarzecki, P Pulay Journal of computational chemistry 18 (4), 489-500, 1997 | 43 | 1997 |
Thomas SpiroProfessor of Chemistry, U of WashingtonVerified email at uw.edu
