| Lawson criterion for ignition exceeded in an inertial fusion experiment H Abu-Shawareb, R Acree, P Adams, J Adams, B Addis, R Aden, P Adrian, ... Physical review letters 129 (7), 075001, 2022 | 241 | 2022 |
| Considerations in constructing a multireference second‐order perturbation theory PM Kozlowski, ER Davidson The Journal of chemical physics 100 (5), 3672-3682, 1994 | 219 | 1994 |
| Determinants of the FeXO (X= C, N, O) vibrational frequencies in heme adducts from experiment and density functional theory KM Vogel, PM Kozlowski, MZ Zgierski, TG Spiro Journal of the American Chemical Society 121 (43), 9915-9921, 1999 | 215 | 1999 |
| Computational modeling of metalloporphyrin structure and vibrational spectra: porphyrin ruffling in NiTPP TS Rush, PM Kozlowski, CA Piffat, R Kumble, MZ Zgierski, TG Spiro The Journal of Physical Chemistry B 104 (20), 5020-5034, 2000 | 173 | 2000 |
| Is the CO adduct of myoglobin bent, and does it matter? TG Spiro, PM Kozlowski Accounts of Chemical Research 34 (2), 137-144, 2001 | 168 | 2001 |
| Low-lying spin states of iron (II) porphine PM Kozlowski, TG Spiro, A Bérces, MZ Zgierski The Journal of Physical Chemistry B 102 (14), 2603-2608, 1998 | 149 | 1998 |
| 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 |
| Performance of DFT in modeling electronic and structural properties of cobalamins J Kuta, S Patchkovskii, MZ Zgierski, PM Kozlowski Journal of computational chemistry 27 (12), 1429-1437, 2006 | 129 | 2006 |
| 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 |
| Beyond metal-hydrides: non-transition-metal and metal-free ligand-centered electrocatalytic hydrogen evolution and hydrogen oxidation AZ Haddad, BD Garabato, PM Kozlowski, RM Buchanan, ... Journal of the American Chemical Society 138 (25), 7844-7847, 2016 | 121 | 2016 |
| 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 |
| The Cope rearrangement revisited with multireference perturbation theory PM Kozlowski, M Dupuis, ER Davidson Journal of the American Chemical Society 117 (2), 774-778, 1995 | 120 | 1995 |
| Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods K Kornobis, N Kumar, BM Wong, P Lodowski, M Jaworska, T Andruniów, ... The Journal of Physical Chemistry A 115 (7), 1280-1292, 2011 | 116 | 2011 |
| Theoretical determination of the Co− C bond energy dissociation in cobalamins T Andruniow, MZ Zgierski, PM Kozlowski Journal of the American Chemical Society 123 (11), 2679-2680, 2001 | 114 | 2001 |
| Role of the axial ligand in heme CO backbonding; DFT analysis of vibrational data KM Vogel, PM Kozlowski, MZ Zgierski, TG Spiro Inorganica Chimica Acta 297 (1-2), 11-17, 2000 | 113 | 2000 |
| The cobalt–methyl bond dissociation in methylcobalamin: new benchmark analysis based on density functional theory and completely renormalized coupled-cluster calculations PM Kozlowski, M Kumar, P Piecuch, W Li, NP Bauman, JA Hansen, ... Journal of Chemical Theory and Computation 8 (6), 1870-1894, 2012 | 106 | 2012 |
| Discordant results on FeCO deformability in heme proteins reconciled by density functional theory TG Spiro, PM Kozlowski Journal of the American Chemical Society 120 (18), 4524-4525, 1998 | 104 | 1998 |
| Synthesis and oxygenation of a nickel (II) and zinc (II) dithiolate: An experimental and theoretical comparison CA Grapperhaus, CS Mullins, PM Kozlowski, MS Mashuta Inorganic chemistry 43 (9), 2859-2866, 2004 | 98 | 2004 |
| Scaled quantum mechanical and experimental vibrational spectra of magnesium and zinc porphyrins AA Jarzȩcki, PM Kozlowski, P Pulay, BH Ye, XY Li Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 53 (8 …, 1997 | 93 | 1997 |
| FeNO structure in distal pocket mutants of myoglobin based on resonance Raman spectroscopy CM Coyle, KM Vogel, TS Rush, PM Kozlowski, R Williams, TG Spiro, ... Biochemistry 42 (17), 4896-4903, 2003 | 89 | 2003 |
