CHBC Faculty Publications

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Author: Jarzecki, Andrzej Arkadiusz

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TitlePublication NamePub. TypeYear
DFT-SQM force field for nickel porphine: Intrinsic rufflingJournal of Physical Chemistry AJournal Article1999
Direct scaling of primitive valence force constants: An alternative approach to scaled quantum mechanical force fieldsJournal of Physical Chemistry AJournal Article1998
Scaled quantum mechanical and experimental vibrational spectra of magnesium and zinc porphyrinsSpectrochimica Acta, Part A-Molecular and Biomolecular SpectroscopyJournal Article1997
The inner-hydrogen migration in free base porphyrinTheoretical Chemistry AccountsJournal Article1997
Density functional based vibrational study of conformational isomers: Molecular rearrangement of benzofuroxanJournal of Computational ChemistryJournal Article1997
Vibrational assignment and definite harmonic force field for porphine .2. Comparison with nonresonance Raman dataJournal of Physical ChemistryJournal Article1996
Vibrational assignment and definite harmonic force field for porphine .1. Scaled quantum mechanical results and comparison with empirical force fieldJournal of Physical ChemistryJournal Article1996