Krystyna Szczepaniak

University of Florida — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

25h-index2.5kcitations65works0.02yr avg
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Research Topics

DNA and Nucleic Acid Chemistry(24), Crystallography and molecular interactions(14), Synthesis and Characterization of Heterocyclic Compounds(13), Spectroscopy and Quantum Chemical Studies(10), Molecular Spectroscopy and Structure(9)

Publications65 total

Keto-enol tautomserism of guanine and 9-methylguanine monomers
International Journal of Quantum Chemistry·2009· 1 cited
Proton Transfer in Strong Hydrogen Bonds Revealed by Infrared Spectra - Correlations between Structure and Spectra for the BrH : NH<sub>3</sub>Complex
Acta Physica Polonica A·2007Open Access
Experimental Matrix Isolation Study and Quantum-Mechanics-Based Normal-Coordinate Analysis of the Anharmonic Infrared Spectrum of Picolinic Acid <i>N</i>-Oxide
The Journal of Physical Chemistry A·2005· 56 cited
Quantum mechanical and experimental infrared and Raman studies of 1‐methyluracil and its hydrogen‐bonded dimer
International Journal of Quantum Chemistry·2002· 11 cited
Raman and Infrared Spectra of Thymine. A Matrix Isolation and DFT Study
The Journal of Physical Chemistry A·2000· 115 cited
Experimental infrared spectra of matrix isolated complexes of HCl with 4-substituted pyridines. Evaluation of anharmonicity and matrix effects using data from ab initio calculations
Journal of Molecular Structure·2000· 18 cited
Matrix Isolation and DFT Quantum Mechanical Studies of Vibrational Spectra of Uracil and Its Methylated Derivatives
Polish Journal of Chemistry·1998· 32 cited
Ab initio theoretical and matrix isolation experimental studies of hydrogen bonding. IV. The HBr:pyridine complex
Journal of Molecular Structure·1997· 27 cited
Infrared and Raman spectra of alkylated guanine derivatives
Journal of Molecular Structure·1997· 13 cited
Resolving Discrepancies between Theory and Experiment:  IR Spectrum of the Proton-Shared HBr:Pyridine Complex
The Journal of Physical Chemistry A·1997· 9 cited
Infrared and Raman Spectra of Solid Guanine Derivatives. 7-METHYLGUANINE, 9-METHYLGUANINE, 9-ETHYLGUANINE, 1,7-DIMETHYLGUANINE, and 1,9-DIMETHYLGUANINE.
Spectroscopy Letters·1997· 3 cited
Ab initio theoretical and matrix isolation experimental studies of hydrogen bonding: evidence of a dramatic effect of the matrix on the structure and vibrational spectrum of HBr:3,5-dichloropyridine
Chemical Physics Letters·1997· 6 cited
EXPERIMENTAL MATRIX ISOLATION AND THEORETICAL AB INITIO STUDIES OF VIBRATIONAL SPECTRA OF HYDROGEN HALIDE COMPLEXES WITH STRONG NITROGEN BASES
The Knowledge Bank (The Ohio State University)·1996
Ab initio theoretical and matrix isolation experimental studies of hydrogen bonding: vibrational consequences of proton position in 1:1 complexes of HCl and 4-X-pyridines
Chemical Physics Letters·1995· 39 cited
Properties of Hydrogen-Bonded Complexes Obtained from the B3LYP Functional with 6-31G(d,p) and 6-31+G(d,p) Basis Sets: Comparison with MP2/6-31+G(d,p) Results and Experimental Data
The Journal of Physical Chemistry·1995· 421 cited
ChemInform Abstract: Experimental and ab initio Quantum Mechanical Studies of the Vibrational Spectra of Isolated Pyrimidine Bases
ChemInform·1995
Tautomerism of thioguanine. Experimental matrix isolation and theoretical quantum-mechanical studies.
PubMed·1995
Chapter 5: Calculated and experimental vibrational spectra and force fields of isolated pyrimidine bases
Berichte der Bunsengesellschaft für physikalische Chemie·1994
ABSOLUTE INFRARED INTENSITY MEASUREMENTS FOR MATRIX-ISOLATED SAMPLES
The Knowledge Bank (The Ohio State University)·1994
Experimental and Ab Initio Quantum Mechanical Studies of the Vibrational Spectra of Isolated Pyrimidine Bases
1993· 9 cited
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Frequent Co-authors

Willis B. Person(32), M. Szczȩśniak(22), Maciej J. Nowak(10), Janet E. Del Bene(8), Jacek Kwiatkowski(5), Hanna Rostkowska(5), David Shugar(4), Pierre Chabrier(4), Krzysztof Kuczera(4), Ku Halim Ku Bulat(3), Jerzy Leszczyński(3), A. Barski(3), Ryszard Czermiński(3), Steven Chin(3), I. Scott(3), Józef S. Kwiatkowski(3), W. Szajda(2), Luis A. Ramirez Hernandez(2), Okuma Emile Kasende(2), Thérèse Zeegers‐Huyskens(2)