Pawel M. Kozlowski

发表

Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC‐XQDPT2, EOM‐CCSD, and TD‐DFT calculations

Neeraj Kumar, Bryan M. Wong, Karina Kornobis, 2013, J. Comput. Chem..

Performance of DFT in modeling electronic and structural properties of cobalamins

Serguei Patchkovskii, Jadwiga Kuta, Pawel M. Kozlowski, 2006, J. Comput. Chem..

Newton–Raphson optimization of the explicitly correlated Gaussian functions for calculations of the ground state of the helium atom

Ludwik Adamowicz, Zhenghong Zhang, Pawel M. Kozlowski, 1994, J. Comput. Chem..

Application of explicitly correlated Gaussian functions for calculations of the ground state of the beryllium atom

Eric Schwegler, Ludwik Adamowicz, Pawel M. Kozlowski, 1993, J. Comput. Chem..

Visualization of shocked material instabilities using a fast-framing camera and XFEL four-pulse train

Marcos O. Sanchez, Bob Nagler, Anne Sakdinawat, 2021, Optical Engineering + Applications.

The Cope Rearrangement Revisited with Multireference Perturbation Theory

Michel Dupuis, Ernest R. Davidson, Pawel M. Kozlowski, 1995 .

Theoretical analysis of electronic absorption spectra of vitamin B12 models

Pawel M. Kozlowski, Marek Z. Zgierski, Tadeusz Andruniów, 2001 .

Beyond Metal-Hydrides: Non-Transition-Metal and Metal-Free Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation.

Pawel M. Kozlowski, Craig A. Grapperhaus, Robert M. Buchanan, 2016, Journal of the American Chemical Society.

Considerations in constructing a multireference second‐order perturbation theory

Ernest R. Davidson, Pawel M. Kozlowski, E. Davidson, 1994 .

Potential symmetry breaking, structure and definite vibrational assignment for azulene: Multiconfigurational and density functional results

Guntram Rauhut, Peter Pulay, Pawel M. Kozlowski, 1995 .

Determinants of the FeXO (X = C, N, O) Vibrational Frequencies in Heme Adducts from Experiment and Density Functional Theory

Thomas G. Spiro, Pawel M. Kozlowski, T. Spiro, 1999 .

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of coenzyme B12

Piotr Lodowski, Maria Jaworska, Pawel M. Kozlowski, 2009 .

Construction of open shell perturbation theory invariant with respect to orbital degeneracy

Ernest R. Davidson, Pawel M. Kozlowski, E. Davidson, 1994 .