关注
Pawel Kozlowski
Pawel Kozlowski
在 apsl.edu.pl 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
2692022
Considerations in constructing a multireference second‐order perturbation theory
PM Kozlowski, ER Davidson
The Journal of chemical physics 100 (5), 3672-3682, 1994
2221994
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
2201999
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
1742000
Is the CO adduct of myoglobin bent, and does it matter?
TG Spiro, PM Kozlowski
Accounts of Chemical Research 34 (2), 137-144, 2001
1692001
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
1521998
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
1431996
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
1302006
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
1301999
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
1231996
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
1231995
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
1222016
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
1182011
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
1152001
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
1142000
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
1072012
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
1031998
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
982004
Nonadiabatic variational calculations for the ground state of the positronium molecule
PM Kozlowski, L Adamowicz
Physical Review A 48 (3), 1903, 1993
901993
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
892003
系统目前无法执行此操作,请稍后再试。
文章 1–20