Andrzej A. Jarzęcki

Direct Scaling of Primitive Valence Force Constants:  An Alternative Approach to Scaled Quantum Mechanical Force Fields

Jon Baker, Andrzej A. Jarzęcki, Péter Pulay · The Journal of Physical Chemistry A · 1998 · 525 citations

Engineering, Scaled Quantum, Computational Chemistry +18

Synthesis, Characterization, and in vitro Antimalarial and Antitumor Activity of New Ruthenium(II) Complexes of Chloroquine

Chandima Shashikala Kumari Rajapakse, Alberto Martínez, Becky Naoulou et al. · Inorganic Chemistry · 2009 · 123 citations · Full text

DFT-SQM Force Field for Nickel Porphine:  Intrinsic Ruffling

Pawel M. Kozlowski, Thomas S. Rush, Andrzej A. Jarzęcki et al. · The Journal of Physical Chemistry A · 1999 · 102 citations

Engineering, Empirical Ff, Computational Chemistry +18

An Oxyferrous Heme/Protein-based Radical Intermediate Is Catalytically Competent in the Catalase Reaction of Mycobacterium tuberculosis Catalase-Peroxidase (KatG)

Javier Suárez, Kalina Ranguelova, Andrzej A. Jarzęcki et al. · Journal of Biological Chemistry · 2009 · 99 citations · Full text

Vibrational Assignment and Definite Harmonic Force Field for Porphine. 1. Scaled Quantum Mechanical Results and Comparison with Empirical Force Field

Pawel M. Kozlowski, Andrzej A. Jarzęcki, Péter Pulay · The Journal of Physical Chemistry · 1996 · 99 citations

Engineering, Vibrational Assignment, Empirical Force Field +19