M. Szafran

发表

Reaction field effects on the electronic structure of carbon radical and ionic centers

M. Zerner, M. Karelson, T. Tamm, 1990 .

DFT studies of the structure, vibrational and NMR spectra of 2-amino-pyridine betaine monohydrate

M. Szafran, I. Kowałczyk, J. Koput, 2005 .

Crystal and molecular structure of 4-carboxypiperidinium chloride (4-piperidinecarboxylic acid hydrochloride)

M. Szafran, A. Komasa, E. Bartoszak-Adamska, 2007 .

X-ray, NMR and DFT studies of the complex of 1,4-dimethylpiperazine mono-betaine with p-hydroxybenzoic acid

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2006 .

Spectroscopic, structural and theoretical investigation of bis(4-trimethylammoniumbenzoate) hydroiodide hydrate.

M. Szafran, A. Katrusiak, A. Komasa, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural, spectroscopic and theoretical studies of dimethylphenyl betaine complex with two molecules of 2,6-dichloro-4-nitro-phenol.

M. Szafran, A. Katrusiak, A. Komasa, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structures of N-ethylpiperidine betaine hydrate and its 1:1 complex with squaric acid

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2013 .

Stable Molecular Complex of Squaric Acid with 2-(Quinuclidinium)propionate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2013 .

Structure of dimethylphenyl betaine hydrochloride studied by X-ray diffraction, DFT calculation, NMR and FTIR spectra

M. Szafran, A. Katrusiak, I. Kowałczyk, 2013 .

Structure and spectroscopic studies of 2,3-diethoxycarbonyl-1-methylpyridinium nitrate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2013 .

Experimental and theoretical studies of 1,2-di(3-hydroxypyridinium)-ethylene dibromide

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2013 .

Structure of 2,3-dicarboxy-1-methylpyridinium chloride studied by X-ray diffraction, DFT calculation, NMR, FTIR and Raman spectra

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2012 .

Structural, spectroscopic and theoretical studies of the 1:1 complex of N-methylpiperidine betaine with squaric acid

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2012 .

Structure of methyl 3-(trimethylammonium)benzoate iodide studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra

M. Szafran, A. Katrusiak, I. Kowałczyk, 2012 .

Molecular structure of hydrated complex of trigonelline with l(+)-tartaric acid

M. Szafran, Z. Dega-Szafran, P. Barczyński, 2011 .

The structure of 4-(trimethylammonium)benzoic acid chloride studied by X-ray diffraction, DFT calculations, NMR and FTIR spectroscopy

M. Szafran, A. Katrusiak, I. Kowałczyk, 2011 .

Structure of methyl 4-(trimethylammonium)benzoate iodide studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra

M. Szafran, A. Katrusiak, I. Kowałczyk, 2011 .

Structure and spectroscopic properties of bis(1-carboxyethyl-3-aminopyridinium) hydrobromide monohydrate

M. Szafran, A. Katrusiak, I. Kowałczyk, 2011 .

Crystal structure and spectroscopic properties of the complex of trigonelline hydrate with p-hydroxybenzoic acid

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2011 .

Structure of 2,3-dicarboxy-1-methylpyridinium monohydrate studied by X-ray diffraction, DFT calculations, FTIR, Raman and NMR spectra

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2011 .

Diastereomeric complex of (R/S)-piperidine-3-carboxylic acid with (2R,3R)-tartaric acid: Structural, spectroscopic and computational studies

M. Jaskólski, M. Szafran, E. Bartoszak-Adamska, 2011 .

Interactions of water molecule in 2-(quinuclidinium)-propionic acid bromide hydrate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2010 .

Structure of 1-methyl-6-oxyquinolinium betaine dihydrate studied by X-ray diffraction, DFT calculations, vibrational and NMR spectra

M. Szafran, A. Katrusiak, P. Barczyński, 2010 .

Crystal and molecular structure of the quinuclidine betaine with p-hydroxybenzoic acid complex studied by X-ray diffraction, DFT, FTIR, and NMR methods

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2010 .

Hydrogen bonding and molecular association in 2-(quinuclidinium)-butyric acid bromide hydrate studied by X-ray diffraction, DFT calculations, FTIR and NMR spectroscopy, and potentiometric titration

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2010 .

Structure of 6-hydroxy-1-methylquinolinium chloride hydrate studied by X-ray, DFT calculations, FTIR and NMR spectroscopes

M. Szafran, A. Katrusiak, J. Koput, 2010 .

Structure of 3-aminopyridine betaine hydrochloride studied by X-ray diffraction, DFT calculations, FTIR and NMR spectroscopy

M. Szafran, A. Katrusiak, I. Kowałczyk, 2010 .

Structure of 1H-2-oxo-2,3-dihydroimidazo[1,2-a]pyridinium perchlorate studied by X-ray diffraction, DFT calculations and by FTIR and NMR spectroscopy

M. Jaskólski, M. Szafran, I. Kowałczyk, 2010 .

Molecular structure and spectroscopic properties of the 1:1 complex of quinuclidine betaine with l-tartaric acid

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2009 .

Structure of 3,4-dicarboxy-1-methylpyridinium chloride studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2009 .

1-Carboxyethylpyridinium-4-carboxylate inner salt studied by X-ray diffraction, DFT calculations, vibrational and NMR spectroscopy

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2009 .

Structure of an inclusive compound of bis(piperidinium-4-carboxylate)hydrogen semi-tartrate with water and methanol studied by X-ray diffraction, NMR, FTIR and DFT methods

M. Szafran, A. Katrusiak, Z. Fojud, 2009 .

Crystal and molecular structure of quinuclidine betaine hydrochloride studied by X-ray diffraction, DFT, FTIR, and NMR methods

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2009 .

Structural, spectroscopic, and theoretical studies of a very short OHO hydrogen bond in bis(4-(N-methylpiperidinium)-butyrate) hydrobromide

M. Jaskólski, M. Szafran, E. Bartoszak-Adamska, 2009 .

DABCO mono-betaine hydrate studied by X-ray diffraction, DFT calculations and spectroscopic methods

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2009 .

Crystal structure of and solvent effect on tautomeric equilibrium in Schiff base derived from 2-hydroxy-1-naphthaldehyde and methylamine studied by X-ray diffraction, DFT, NMR and IR methods

M. Szafran, A. Katrusiak, Z. Rozwadowski, 2009 .

Crystal structure and spectroscopic properties of the 1:1 complex of pyridine betaine with p-hydroxybenzoic acid

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2009 .

Orientations of water molecule and hydronium ion in 1-methylquinolinium-3-carboxy chloride monohydrate studied by X-ray diffraction, DFT calculations, NMR, FTIR and Raman spectra

M. Szafran, A. Katrusiak, J. Koput, 2009 .

Structure of 1-carboxymethylpyridinium-4-carboxylate inner salt studied by X-ray diffraction, DFT calculations, vibrational and NMR spectra

M. Szafran, A. Katrusiak, J. Koput, 2009 .

Prototropic equilibrium between 1-H-2-oxo-pyrido[2,1-b][3,4]dihydropyrimidinium chloride and 3-(2-aminopyridinium)propionate hydrochloride studied by X-ray, FTIR, Raman, NMR and ab initio methods

M. Szafran, A. Katrusiak, I. Kowałczyk, 2008 .

X-ray, DFT, NMR, FTIR and Raman study of 1-methylquinolinium-3-carboxylate monohydrate

M. Szafran, A. Katrusiak, J. Koput, 2008 .

DFT, FTIR, Raman and NMR study of 1-methyl-8-oxyquinolinium betaine

M. Szafran, A. Komasa, Z. Dega-Szafran, 2008 .

X-ray and ab initio studies of the structure, vibrational and NMR spectra of 1-methyl-3-hydroxypyridinium chloride

M. Szafran, A. Katrusiak, A. Komasa, 2007 .

Structure of 1-methyl-2-oxo-pyrido[2,1b][3,4]dihydropyrimidinium bromide studied by X-ray diffraction, FTIR and NMR spectroscopy and DFT calculations

M. Jaskólski, M. Szafran, I. Kowałczyk, 2007 .

Molecular structure, hydrogen bonding, basicity and spectroscopic properties of 3-hydroxypyridine betaine hydrochloride monohydrate

M. Szafran, A. Katrusiak, A. Komasa, 2007 .

Structure of the 2:1 complex of 1-piperidineacetic acid and p-hydroxybenzoic acid studied by X-ray, FTIR, 1H, 13C NMR, and DFT methods

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2007 .

X-ray, MP2 and DFT studies of the structure, vibrational and NMR spectra of homarine

M. Szafran, A. Katrusiak, J. Koput, 2007 .

Molecular structure and spectroscopic properties of the complex of N-methylmorpholine betaine with 3,4-dinitrophenol

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2007 .

Structure and properties of the 1:2 complex of 1,4-dicarboxymethyl-1,4-dimethylpiperazinium inner salt (di-betaine) with p-hydroxybenzoic acid studied by X-ray, DFT, FTIR and NMR methods

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2006 .

Structure of 3-hydroxy-3-phenyl-pyrido[2,1-c][1,4]dihydrooxazinium bromide studied by X-ray, FTIR, 1H, 13C and 15N NMR, and DFT methods

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2006 .

X-ray and ab initio studies of the structure and vibrational spectra of 4-carboxy-1-methylpyridinium chloride

M. Szafran, A. Katrusiak, J. Koput, 2006 .

NMR study of 4-hydroxy-1-methylpiperidine betaine derivatives

M. Szafran, Z. Dega-Szafran, E. Dulewicz, 2006 .

Molecular structure of the complex of N -methylmorpholine betaine with 2,4-dinitrophenol

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2005 .

NMR studies of complexes of N-methylmorpholine betaine with some benzoic acids

M. Szafran, H. Szymusiak, R. Zielinski, 2005 .

Crystal and single molecule structures of N -phenacyl-4-cyanopyridinium bromide

M. Szafran, A. Katrusiak, A. Szwajca, 2004 .

Hydrogen bonds and conformational analysis of bis(1-methylisonicotinate) hydrochloride monohydrate by X-ray diffraction, vibrational spectra and B3LYP calculations

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2006 .

Conformational analysis of bis(trigonelline) hydrochloride, perchlorate and their monohydrates by the B3LYP calculations, X-ray diffraction and vibrational spectra

M. Szafran, A. Katrusiak, J. Koput, 2006 .

Crystal and molecular structure, hydrogen bonding and electrostatic interactions of bis(trigonelline) hydrogen perchlorate monohydrate

M. Szafran, A. Katrusiak, J. Koput, 2004 .

X-ray, phase transition, IR and Raman studies of the solid complex of bis(pyridine betaine)-sulphuric acid

M. Jaskólski, M. Szafran, J. Baran, 1997 .

Calculation of the vibrational spectra of pyridine betaine

M. Szafran, J. Koput, 1996 .

Aromaticity as a quantitative concept part V: A comparison of semi-empirical methods for the calculation of molecular geometries of heteroaromatic compounds and application of the AM1 and MNDO methods to the calculation of Bird's aromaticity indices

A. Katritzky, M. Szafran, E. Anders, 1990 .

AM1 study of the tautomerism of 2- and 4-pyridones and their thio-analogs

A. Katritzky, M. Szafran, J. Stevens, 1989 .

Reinvestigation of 1H and 13C NMR spectra of 1,8‐bis(dimethylamino)naphthalene complexes with mineral acids

M. Szafran, Z. Dega-Szafran, B. Nowak-Wydra, 1993 .

Molecular structures, hydrogen bonding and electrostatic interactions of 3-(2-bromo-pyridinium)-propionic acid and 3-(pyridinium)-pivalic acid halides

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2001 .

Comparison of low-barrier hydrogen bonds in acid salts of carboxylic acids and basic salts of betaines – FTIR study

M. Szafran, I. Kowałczyk, P. Barczyński, 1999 .

Recent aspects of the proton transfer reaction in H-bonded complexes

M. Szafran, 1996 .

A critical review of the isotope effect in IR spectra

M. Szafran, Z. Dega-Szafran, Z. Dega‐Szafran, 1994 .

Hydrogen bonding and proton localization in complexes of carboxybetaines with phenols and carboxylic acids

M. Szafran, A. Katrusiak, A. Komasa, 1997 .

Interactions of pyridoxine (Vitamin B6) with squaric acid and water. Experimental and theoretical studies

M. Szafran, A. Komasa, E. Bartoszak-Adamska, 2021, Journal of Molecular Structure.

Hydrogen-bonding aggregation of N-methylpyrrolidine betaine with p-hydroxybenzoic acid

M. Szafran, F. Safari, A. Katrusiak, 2020 .

Three-component complex of piperidine-ethanol, p-hydroxybenzoic acid and water studied by X-ray, Raman, FTIR and DFT

M. Szafran, A. Katrusiak, A. Komasa, 2017 .

Spectroscopic and theoretical studies of the H-bonded complex of quinuclidine with 2,6-dichloro-4-nitrophenol

M. Szafran, A. Katrusiak, A. Komasa, 2017 .

Tautomers of N -ethyl-3-oxopyridinium and its adduct with squaric acid studied by X-ray, Raman, FTIR, NMR and DFT methods

M. Szafran, A. Katrusiak, A. Komasa, 2017 .

Structural, vibrational and DFT studies of di-(pipecolinium acid) squarate

M. Szafran, A. Komasa, E. Bartoszak-Adamska, 2017 .

Synthesis, spectroscopic and theoretical studies of (R/S)-piperidinium-3-carboxylic acid 2,6-dichloro-4-nitrophenolate

M. Szafran, A. Katrusiak, A. Komasa, 2016 .

Disproportional proton tautomers of pipecolic acid and 2,6-dichloro-4-nitrophenol in a 2:3 complex

M. Szafran, A. Katrusiak, A. Komasa, 2016 .

X-Ray, MP2 and DFT studies of the structure and vibrational spectra of homarinium chloride

M. Szafran, A. Katrusiak, J. Koput, 2004 .

Effects of donor-acceptor groups on structural and spectroscopic properties of hydrogen-bonded complex of 2-(hydroxymethyl)-1-methyl-piperidine with p-hydroxybenzoic acid and water

M. Szafran, A. Katrusiak, A. Komasa, 2018 .

B3LYP study of the conformers and rotamers of isostructural N-methylpiperidine betaine hydrochloride and (1-methylcyclohexyl)-acetic acid. The effect of electrostatic attraction on rotation barriers

M. Szafran, J. Koput, Z. Dega-Szafran, 2005 .

Crystal and molecular structure of bis(N-methylpiperidine betaine) hydroiodide

M. Jaskólski, M. Szafran, A. Addlagatta, 2004 .

Bis( N-methylpiperidine betaine) hydrobromide: crystal structure and hydrogen bonding

M. Jaskólski, M. Szafran, Z. Dega-Szafran, 2002 .

Conformational analysis of 1-piperidineacetic acid by X-ray, FTIR and ab initio calculations

M. Szafran, E. Nowak, Z. Dega-Szafran, 2002 .

Crystal structure and spectroscopic properties of N-methylmorpholine betaine phosphate

M. Szafran, A. Gzella, Z. Dega-Szafran, 2000 .

Structure and hydrogen bonding in 5-(dimethylphenylammonium)-valeric acid bromide hydrate

M. Szafran, A. Katrusiak, A. Komasa, 2017 .

Hydrogen bonds and electrostatic interactions in the 1:1 complex of DABCO di-betaine with squaric acid: Crystallographic, theoretical and spectroscopic studies

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2012 .

Interactions of squaric acid with DABCO mono-betaine: Structural, spectroscopic and calculation studies

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2012 .

The O–H···O, O–H···N and C–H···O hydrogen bonds in 1,4-dimethylpiperazine mono-betaine monohydrate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2008 .

Crystal and molecular structure of 1-piperidiniumacetic acid chloride studied by X-ray, B3LYP and PM3 calculations

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2004 .

Structure and FTIR spectra of 3 : 2 complexes of trimethylamine N-oxide and 4-dimethylamine-2,6-dimethylpyridine N-oxide with perchloric acid

S. Krzywda, M. Jaskólski, M. Szafran, 1996 .

Crystal and molecular structure of cytosine trichloroacetate

M. Szafran, B. Brycki, M. Gdaniec, 1989 .

Nitrogen-15 NMR studies of hydrogen bonding and proton transfer in complexes of pyridine N-oxides with dichloroacetic acid in CDCl3

M. Szafran, J. Sitkowski, Z. Dega-Szafran, 1996 .

UV, 1H and 13C NMR spectra, and AM1 studies of protonation of aminopyridines

M. Szafran, Z. Dega-Szafran, B. Nowak-Wydra, 1994 .

Differentiation of substituent effects from hydrogen bonding and protonation effects in carbon-13 NMR spectra of pyridine N-oxides

M. Szafran, B. Brycki, Z. Dega-Szafran, 1991 .

13C NMR spectra of substituted pyridine N‐oxides. Substituent and hydrogen bonding effects

M. Szafran, B. Brycki, M. Szafran, 1988 .

Crystal and molecular structure of 3-(2-amino-pyridinium)-propionate monohydrate

M. Szafran, A. Katrusiak, I. Kowalczyk, 2006 .

Structure of co-crystal of N-methylpiperidine betaine–l(+)-tartaric acid

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2008 .

The influence of charges and hydrogen bond on the conformation of zwitterionic 3-(2-hydroxyalkyl-pyridinium)-propionates and their hydrobromides

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2002 .

Conductance studies of acid–base equilibria in 2,4,6-trimethylpyridinium trifluoroacetate in nitrobenzene

M. Szafran, P. Barczyński, 1992 .

Three hydrogen-bonded complexes of trigonelline with squaric acid: Crystallographic, spectroscopic and theoretical studies

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2012 .

OH⋯O and OH⋯N hydrogen bonds in the complex of DABCO mono-betaine with p-hydroxybenzoic acid studied by X-ray diffraction, DFT calculations and spectroscopic methods

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2011 .

Molecular structure of the 1:2 complex of 2-quinuclidinium-butyrate with p-hydroxybenzoic acid

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2011 .

Molecular structure and spectral properties of 4-(1-pyridinium)-butyrate dihydrate and its hydrobromide

M. Szafran, A. Katrusiak, A. Komasa, 2017 .

Electrostatic Interactions and Conformations of Zwitterionic Pyridinium Alkanoates

M. Szafran, A. Katrusiak, J. Sitkowski, 1998 .

Molecular structure of 1:1 complex of 1,4-dimethylpiperazine di-betaine with l-tartaric acid studied by X-ray diffraction, FTIR, Raman and NMR spectroscopy and DFT calculations

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2008 .

Structure and vibrational spectra of 1,4-dimethylpiperazine di-betaine dihydrate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2008 .

Structure of complex of N-methylpiperidine betaine with p-hydroxybenzoic acid studied by X-ray, FT-IR and DFT methods

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2008 .

Crystal and molecular structure of cytosine hemitrichloroacetate

M. Szafran, B. Brycki, M. Gdaniec, 1989 .

Aromaticity as a Quantitative Concept. 1. A Statistical Demonstration of the Orthogonality of "Classical" and "Magnetic" Aromaticity in Five- and Six-Membered Heterocycles

Alan R. Katritzky, Giuseppe Musumarra, A. Katritzky, 1989 .

Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate

M. Szafran, A. Katrusiak, A. Komasa, 2017, Structural Chemistry.

Nitrogen‐15 nuclear magnetic resonance studies of hydrogen bonding and proton transfer in some pyridine trifluoroacetates in dichloromethane

M. Szafran, M. Bourdonneau, C. Brevard, 1986 .

Structure, conformation and hydrogen bonding of 4-(N-methylpiperidinium)-butyric acid bromide

M. Jaskólski, M. Szafran, R. Thaimattam, 2007 .

Experimental and quantum chemical evidences for C–H⋯N hydrogen bonds involving quaternary pyridinium salts and pyridinium ylides

M. Szafran, G. Schroeder, M. Lewandowska, 2000 .

Structure, spectroscopy and DFT calculations of 1,2-di(3-hydroxymethylpyridinium)ethane dibromide

M. Szafran, A. Katrusiak, A. Komasa, 2016 .

Calculation of the vibrational spectra of betaine hydrochloride

M. Szafran, J. Koput, 1997 .

Aromaticity as a Quantitative Concept. 3. Benzo-fused five- and six-membered heterocycles

A. Katritzky, M. Szafran, V. Feygelman, 1990 .

Experimental and theoretical studies of 4-hydroxy-1-methylpiperidinium perchlorate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2008 .

Spectroscopic and structural properties of some N-(2-hydroxyethyl)-morpholine derivatives

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2004 .

1H and 13C NMR spectra of betaines, >N+(CH2)nCOO−, and their hydrogen halides. Additivity rules for carbon‐13 chemical shifts

M. Szafran, Z. Dega-Szafran, E. Dulewicz, 2000 .

HYDROGEN BONDS IN 1:2 COMPLEXES OF SUBSTITUTED PYRIDINE N-OXIDES WITH PENTACHLOROPHENOL

M. Szafran, E. Tykarska, Z. Dega-Szafran, 1997 .

NH⋯O and OH⋯O interactions of glycine derivatives with squaric acid

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2014 .

X-ray and B3LYP structures and vibrational spectra of pyridine betaine perchlorate monohydrate and conformation of ≥N+CH2COO moiety in crystalline betaines

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2003 .

Molecular structure of N-(4-carboxybutyl)pyridinium perchlorate studied by X-ray diffraction, FTIR spectroscopy, PM3 and SAM1 calculations

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 1999 .

X-ray, FTIR and ab initio HF studies of OHO hydrogen bond in 4-dimethylamino-2,6-dimethylpyridine N-oxide 4-toluenesulphonate. Proton transfer in O·H·O complexes and correlation between the O⋯O, C–O and N–O distances and ΔpKa

M. Szafran, A. Katrusiak, E. Tykarska, 1999 .

PM3 study of the proton affinities of 2‐, 3‐, and 4‐monosubstituted pyridines in the gas phase

Jacek Koput, M. Szafran, J. Koput, 1991 .

Molecular structure, hydrogen bonding, basicity and spectroscopic properties of N,N′-dimethylpiperazine betaines and their hydrohalides

M. Jaskólski, M. Szafran, I. Kurzyca, 2002 .

Molecular structures and hydrogen bonding of 1:1 and 2:1 complexes of quinoline betaine with perchloric acid

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2002 .

Crystal and molecular structure of N-methylpiperidine betaine hydrobromide

M. Szafran, E. Tykarska, Z. Dega-Szafran, 2002 .

Conductance studies of acid–base equilibria between 4-methoxy-2,6-dimethylpyridine N-oxide and trifluoroacetic acid in nitrobenzene

M. Szafran, P. Barczyński, 1994 .

Molecular structure of hydrated complex of 1,4-dimethylpiperazine di-betaine with l-tartaric acid

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2008 .

Differences between the N·H·O and O·H·O hydrogen bonds in complexes of 2,6-dichloro-4-nitrophenol with pyridines and pyridine N-oxides☆

M. Szafran, E. Tykarska, Z. Dega-Szafran, 1996 .

FT-IR, UV—visible and X-ray studies of complexes of pyridine N-oxides with pentachlorophenol

M. Szafran, E. Tykarska, Z. Dega-Szafran, 1995 .

Complexes of Carboxylic Acids with Pyridines and Pyridine N-Oxides

M. Szafran, Z. Dega-Szafran, 1994 .

Investigation of B ⋯ HA ⇌ B+H ⋯ A− equilibrium in complexes of trifluoroacetic acid with pyridines in dichloromethane by second derivative infrared spectroscopy

M. Szafran, Z. Dega-Szafran, Monika Grundwald-Wyspiańska, 1991 .

Localization of the proton in complexes of trifluoroacetic acid with pyridine N-oxides in dichloromethane by second-derivative infrared spectroscopy

M. Szafran, Z. Dega-Szafran, Monika Grundwald-Wyspiańska, 1991 .

Evidence for a single minimum potential for hydrogen bonds of pyridine N-oxide complexes with dichloroacetic acid in dichloromethane

M. Szafran, Z. Dega-Szafran, Monika Grundwald-Wyspiańska, 1991 .

A quantitative comparison of spectroscopic and energy data, in solution, of NHO and OHO hydrogen bonds and gas-phase proton affinities: complexes of pyridines and pyridine N-oxides with acetic acids

M. Szafran, Z. Dega-Szafran, A. Hrynio, 1990 .

Formation of the homoconjugated cation (NO⋯H⋯ON)+ of N-dodecyl-N,N-dimethylamine oxide in carbon tetrachloride

M. Szafran, B. Brycki, 1990 .

Chlorine-35 nuclear quadrupole resonance and infrared spectroscopic studies of hydrogen bonding in complexes of dichloroacetic acid with nitrogen and oxygen bases: correlation of spectroscopic properties with proton affinity and aqueous pKa

A. Katritzky, M. Szafran, B. Brycki, 1990 .

IR and 1H NMR spectra of the strongly hydrogen-bonded complex (CF3COOH⋯OOCCF3)N(Bu)4 in organic solvents

M. Szafran, Monika Grundwald-Wyspiańska, 1987 .

Influence of excess base and solvents on hydrogen bond and proton transfer in complexes between dichloroacetic acid and substituted pyridines

M. Szafran, P. Barczyński, Z. Dega-Szafran, 1987 .

Interaction of 2,4,6-trimethylpyridine with some halogenocarboxylic acids in benzene and dichloromethane. Problem of stoicheiometry

M. Szafran, Z. Dega-Szafran, P. Barczyński, 1987 .

Spectroscopic differences between molecular (O–H ⋯ N) and ionic pair (O–⋯ H–N+) hydrogen complexes

M. Szafran, Z. Dega-Szafran, P. Barczyński, 1985 .

Infrared and 1H nuclear magnetic resonance studies of solvent effect on hydrogen bond in some pyridine n-oxide trifluoroacetates

M. Szafran, B. Brycki, 1984 .

Infrared studies of solvent effects on hydrogen bonding in some pyridine trifluoroacetates

M. Szafran, Z. Dega-Szafran, E. Dulewicz, 1984 .

IR and 1H NMR studies on the hydrogen bond in homoconjugated cations of some pyridine N-oxides in nitromethane and acetonitrile

M. Szafran, Z. Dega-Szafran, 1983 .

Integrated intensity of continuous absorption in infrared spectra of complexes with medium-strong and strong hydrogen bonds

M. Szafran, Z. Dega-Szafran, Andrej Hrynio, 1987 .

1H NMR studies of solvent and substituent effects on strong intramolecular hydrogen bonds

M. Szafran, B. Brzeziński, 1981 .

Structures of pyrido[1,2a]pyrazinium and pyrido[1,2c][1,4]oxazinium bromides studied by 1H, 13C and 15N NMR, FTIR, X-ray and DFT methods

M. Jaskólski, M. Szafran, E. Bartoszak-Adamska, 2005 .

Reconsideration of solvent effects calculated by semiempirical quantum chemical methods

Alan R. Katritzky, Mati Karelson, Michael C. Zerner, 1993, J. Comput. Chem..

Structure of 1-methylpyridinium-4-carboxylate monohydrate studied by X-ray, FT-IR, Raman, NMR and ab initio methods

M. Szafran, J. Koput, E. Bartoszak-Adamska, 2007 .

IR and PMR studies of proton transfer in complexes of 4-R-pyridine N-oxides with trifluoroacetic acid in solutions

M. Szafran, B. Brycki, Z. Dega-Szafran, 1979 .

Investigations on homologous pyridine derivates—VII: Infrared spectra of 2,2'-dipyridyl 1,1'-dioxide salts

M. Szafran, 1963 .

Crystal structure of di-(N-methylmorpholine betaine)-l(+)-tartrate

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2002 .

Influence of Electrostatic Interactions on Complexes with Short O···O Hydrogen Bonds in Basic Salts of Pyridine Betaines and Acid Salts of ω-Phenyloalkanocarboxylic Acids

M. Szafran, I. Kowałczyk, P. Barczyński, 1999 .

Structure of the complex of dimethylphenyl betaine with dichloroacetic acid studied by X-ray diffraction, DFT calculations, infrared and Raman spectra

M. Szafran, A. Katrusiak, A. Komasa, 2016 .

Spectral and structural studies of dimethylphenyl betaine hydrate.

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure of quinuclidine betaine hydrate studied by X-ray diffraction, DFT, FTIR, Raman, NMR methods

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2009 .

Strong hydrogen bonds in 1:1 and 2:1 complexes of pyridine betaine with strong acids☆

M. Szafran, M. Gdaniec, Z. Dega-Szafran, 1994 .

Effect of alkyl chain length in 2-(quinuclidinium)-alkanocarboxylates on structures of their complexes with 2,6-dichloro-4-nitrophenol

M. Szafran, A. Katrusiak, A. Komasa, 2019, Journal of Molecular Structure.

Centrosymmetric dimer of quinuclidine betaine and squaric acid complex

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2012 .

Unusual aggregation of bis(2-quinuclidinium-butyrate) hydrobromides

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2010 .

Short and symmetrical OHO hydrogen bond in bis(quinuclidine betaine) hydrochloride

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2010 .

Conformational analysis of N-methylpiperidine betaine studied by X-ray diffraction, FTIR spectroscopy and ab initio calculations

M. Szafran, Z. Dega-Szafran, Z. Kosturkiewicz, 1999 .

OHO hydrogen bond and electrostatic interactions in a complex of pyridine betaine with phenylacetic acid studied by X-ray diffraction, FTIR spectroscopy and PM3, DFT calculations

M. Jaskólski, M. Szafran, Z. Dega-Szafran, 2000 .

Crystal structure and vibrational spectra of the 1:1 and 1:2 complexes of pyridine betaine with pentachlorophenol

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 1997 .

Two polymorphs of 4-hydroxy-1-methylpiperidine betaine hydrochloride studied by X-ray and DFT methods

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2005 .

The influence of halide anions on the molecular structure of bis( N-methylpiperidine betaine) monocation with short hydrogen bond

M. Jaskólski, M. Szafran, A. Addlagatta, 2005 .

Theoretical and experimental 1H and 13C NMR spectra of 3-hydroxypyridine, 3-methoxypyridine, and N-ethyl-3-oxypyridinium betaine

M. Szafran, A. Komasa, 2004 .

Spectroscopic and theoretical studies of bis(dimethylphenyl betaine) hydrochloride monohydrate

M. Szafran, A. Komasa, Z. Dega-Szafran, 2015 .

Crystal and molecular structure, hydrogen bond and electrostatic interactions of bis(1-methylisonicotinate)hydrogen perchlorate studied by X-ray diffraction, DFT calculations, FT-IR, Raman and NMR spectroscopes

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2008 .

Crystal and molecular structure, hydrogen bonding and electrostatic interactions of bis(homarine) hydrogen perchlorate studied by X-ray diffraction, DFT calculations, FTIR and Raman spectroscopies

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2007 .

Hydrogen bonds and electrostatic interactions in 1:1 and 2 1 complexes of homarine with mineral acids studied by NMR, FTIR, DFT and X-ray diffraction

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2007 .

Crystal and molecular structure of the 2:1 complex of 1-piperidineacetic acid with perchloric acid

M. Szafran, E. Tykarska, Z. Dega-Szafran, 2004 .

Crystal and single molecule structures of N-(carbomethoxymethyl)-pyridinium perchlorate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2003 .

Structural and vibrational properties of trigonellinium perchlorate dimer, (TRGH.ClO4)2

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2003 .

X-ray, MP2 and DFT studies of the structure and vibrational spectra of trigonellinium chloride

M. Szafran, A. Katrusiak, J. Koput, 2003 .

Hydrogen bonds and proton location in 1:1 and 2:1 complexes of N-methylmorpholine betaine with picric acid

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2002 .

FTIR studies of complexes of N-methylmorpholine betaine with phenols

M. Szafran, Z. Dega-Szafran, Monika Grundwald-Wyspiańska, 2002 .

Crystal structure and vibrational spectrum of N-methylpiperidine betaine hexafluorosilicate

M. Jaskólski, M. Szafran, A. Addlagatta, 2001 .

Molecular structure of bis(pyridiniumvalerate) hydrogen perchlorate studied by X-ray diffraction, FTIR spectroscopy, PM3 and SAM1 calculations

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2000 .

Structure, conformation and hydrogen bonding of some pyridiniumpropionate complexes

M. Jaskólski, M. Szafran, Z. Dega-Szafran, 1998 .

X-ray, FT-IR and PM3 studies of hydrogen bonds in complexes of some pyridines with trifluoroacetic acid

M. Szafran, M. Gdaniec, P. Krzyzanowski, 1992 .

Hydrogen Bonds and Electrostatic Interactions in N-(Ethoxycarbonylmethyl)-quinuclidinium Chloride Dihydrate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2009 .

The 1:2:1 adduct of DABCO dication, hydrogen squarate and water molecules studied by X-ray diffraction and FTIR spectroscopy

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2011 .

Unusual molecular structure of the 1:2.5:2 complex of DABCO di-betaine (1,4-diacetate-1,4-diazoniumbicyclo[2.2.2]octane) with p-hydroxybenzoic acid and water

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2011 .

Molecular structure and spectroscopic properties of N-methylmorpholine betaine complex with 4-hydroxybenzoic acid

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2003 .

Aqueous Basicity and Proton Affinity of Flexible Carboxybetaines, N+(CH2)nCOO- (I)—(III)

M. Szafran, Z. Dega-Szafran, P. Barczyński, 1998 .

X-ray, FTIR, 1H and 13C NMR, PM3 and AM1 studies of (N—H⋯N)+ and (O—H⋯O)– hydrogen bonds in a complex of 1,8-diaminonaphthalene with maleic acid: proton cavity and basicity of proton sponges

M. Jaskólski, M. Szafran, Z. Dega-Szafran, 1995 .

Ring inversion in 4-hydroxy-1-methylpiperidine betaine studied by X-ray, FTIR, 13C CP MAS NMR and DFT calculations

M. Szafran, Z. Fojud, Z. Dega-Szafran, 2009 .

Theoretical and experimental study of vibrational spectra of two polymorphic 4-hydroxy-1-methylpiperidine betaine hydrochlorides

M. Szafran, J. Koput, Z. Dega-Szafran, 2008 .

Conformers and hydrogen bond transformations in N-methylpiperidine betaine 2,4-dinitrophenolate crystals

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2002 .

X-ray, Fourier-transform infrared,1H and13C nuclear magnetic resonance, and PM3 studies of (N—H⋯N)+and (O—H⋯O)–intramolecular hydrogen bonds in a complex of 1,8-bis(dimethylamino)naphthalene with maleic acid

M. Jaskólski, M. Szafran, Z. Dega-Szafran, 1993 .

X-ray and DFT studies of the structure, vibrational and NMR spectra of 2-amino-pyridine betaine hydrochloride

M. Szafran, A. Katrusiak, J. Koput, 2005 .

Structure and vibrational spectra of pyridine betaine hydrochloride

M. Szafran, J. Baran, J. Koput, 1997 .

Ab initio and DFT calculations of the structure and vibrational spectra of trigonelline

M. Szafran, J. Koput, Z. Dega-Szafran, 2002 .

Concentration and solvent effects on the hydrogen bonded complex of quinoline with trifluoroacetic acid

M. Szafran, Z. Dega-Szafran, E. Dulewicz, 1991 .

Differences in proton–proton coupling constants of N+–CH2–CH2 protons of some betaines, N+–(CH2)2-3–COO−, and their complexes in aqueous solution

M. Szafran, M. Pietrzak, Z. Dega-Szafran, 2001 .

Hydrogen bonds in 1:1 complex of piperidine-3-carboxylic acid with salicylic acid

M. Jaskólski, M. Szafran, E. Bartoszak-Adamska, 2009 .

The tautomeric equilibria of thio analogues of nucleic acid bases. Part 3. Ultraviolet photoelectron spectra of 2-thiouracil and its methyl derivatives

A. Katritzky, M. Szafran, G. Pfister-guillouzo, 1990 .

The tautomeric equilibria of thio analogues of nucleic acid bases. Part 2. AM1 and ab initio calculations of 2-thiouracil and its methyl derivatives

A. Katritzky, M. Szafran, J. Stevens, 1989 .

The tautomeric equilibria of thio analogues of nucleic acid bases. Part 1. 2-Thiouracil: background, preparation of model compounds, and gas-phase proton affinities

A. Katritzky, M. Szafran, G. Baykut, 1989 .

Deprotonation of 1-(carbethoxyalkyl)pyridinium halides with strong N-bases

M. Szafran, G. Schroeder, Z. Dega-Szafran, 1999 .

The Tautomeric Equilibria of Thio Analogues of Nucleic Acid Bases. Part 2. AM1 and ab initio Calculations of 2-Thiouracil and Its Methyl Derivatives.

A. Katritzky, M. Szafran, J. Stevens, 1990 .

The Tautomeric Equilibria of Thio Analogues of Nucleic Acid Bases. Part 1. 2-Thiouracil: Background, Preparation of Model Compounds, and Gas-Phase Proton Affinities.

A. Katritzky, M. Szafran, G. Baykut, 1990 .

Ab initio and semiempirical calculations on the tautomeric equilibria of N-unsubstituted and N-substituted benzotriazoles

A. Katritzky, M. Szafran, E. Anders, 1990 .

A theoretical treatment of solvent effects on the tautomeric equilibria of five-membered rings with two heteroatoms

M. Zerner, M. Karelson, A. Katritzky, 1990 .

Dipolar association of pyridine N-oxide in benzene at 25°C

M. Szafran, M. Krȩglewski, M. Grundwald, 1980 .

Deprotonation of N-phenacyl- and N-acetonyl-4-cyanopyridinium halides with 1,4-diazabicyclo[2,2,2]octane

M. Szafran, G. Schroeder, Z. Dega-Szafran, 2002 .

Conformational analysis of 5-piperidinevaleric acid, 5-(N-methylpiperidine)valerate and their hydrogen halides by MO calculations, X-ray diffraction and FTIR spectroscopy

M. Szafran, M. Nowakowska, Z. Dega-Szafran, 1999 .

Supramolecular structure of the 1:2 complex of 1,4-dimethylpiperazine mono-betaine with squaric acid

M. Szafran, A. Katrusiak, A. Komasa, 2013 .

Conformation of 1-benzyloxy-4-methoxypyridinium perchlorate: X-ray, AM1 and PM3 studies

M. Jaskólski, M. Szafran, E. Tykarska, 1991 .

Generation and stability of N-phenacyl-4-R-pyridinium ylides in silicon polypodands

M. Szafran, G. Schroeder, A. Szwajca, 2004 .

Calculation of infrared intensities of substituted benzenes by the hmo and cndo methods

A. Katritzky, M. Szafran, R. Brownlee, 1968 .

Hydrogen bonding in complexes of heterocyclic N-oxides with halogenoacetic acids. Part IV. Osmometric and nuclear magnetic resonance study of lepidine N-oxide complexes with trifluoroacetic and monochloroacetic acids in toluene at 27 °C

M. Szafran, E. Grech, Z. Dega-Szafran, 1972 .

N,N′-Dimethylpiperazine mono-betaine complex with two molecules of 3-iodobenzoic acid and water studied by X-ray diffraction, DFT, FTIR and NMR methods

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2008 .

Molecular structure and vibrational spectrum of N-methylpyrrolidine betaine hydrogen chloride: experimental and DFT study

M. Szafran, J. Koput, Z. Dega-Szafran, 2000 .

Centrosymmetric and asymmetric dimers of 5-(quinolinium)-valeric acid bromide monohydrate in crystal field and in silico

M. Szafran, A. Katrusiak, A. Komasa, 2020 .

Quantitative predictions of tautomeric equilibria for 2-, 3-, and 4-substituted pyridines in both the gas phase and aqueous solution: combination of AM1 with reaction field theory

Alan R. Katritzky, Mati Karelson, Michael C. Zerner, 1989 .

Cooperative hydrogen bond between piperidine-ethanol and 2,6-dichloro-4- nitrophenol

M. Szafran, A. Komasa, E. Bartoszak-Adamska, 2019, Journal of Molecular Structure.

Crystal and molecular structure of the 1:1 complex of 1-piperidineacetic acid with 2,6-dichloro-4-nitrophenol studied by X-ray diffraction and B3LYP calculation

M. Szafran, Z. Dega-Szafran, G. Dutkiewicz, 2005 .

FTIR and 13C NMR studies of hydrogen bonds and proton transfer in complexes of N-dodecyl-N,N-dimethylamine oxide with 26 phenols, carboxylic and mineral acids in solution.

M. Szafran, B. Brycki, 1994 .

VPO and PMR studies of aggregation of lepidine N-oxide·Chloroacetic acid complex in solution

M. Szafran, Z. Dega-Szafran, 1978 .

Effect of pH on carbon‐13 NMR spectra of N‐dodecyl‐N, N‐dimethylamine oxide solution

M. Szafran, B. Brycki, 1992 .

Hydration of the complex of 4-methylquinoline N-oxide with chloroacetic acid in benzene

J. Rychlewski, M. Szafran, Z. Dega-Szafran, 1978 .

35 Cl nuclear quadrupole resonance and infrared spectroscopic studies of hydrogen bonding in complexes of trichloroacetic acid with various nitrogen and oxygen bases

M. Szafran, B. Brycki, Z. Dega-Szafran, 1987 .

Structural and spectroscopic properties of piperidinium-4-carboxylic acid hydrogen squarate

M. Szafran, A. Komasa, E. Bartoszak-Adamska, 2015 .

Experimental and theoretical study of N-(2-hydroxyethyl)morpholine betaine

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2003 .

Infrared and 1H nuclear magnetic resonance studies of hydrogen bonds in some pyridine N-oxide trifluoroacetates and their deuteriated analogues in dichloromethane

M. Szafran, B. Brycki, 1982 .

DFT studies of the structure and vibrational spectra of 8-hydroxyquinoline N-oxide.

M. Szafran, A. Pawlukojć, I. Natkaniec, 2003, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic studies of the 1:1 complex of piperidine-4-carboxylic acid (isonipecotic acid) with 2,6-dichloro-4-nitrophenol

M. Szafran, A. Katrusiak, A. Komasa, 2016 .

Molecular structure of 1-piperidinium acid perchlorate studied by X-ray diffraction and FTIR spectroscopy

M. Szafran, E. Tykarska, Z. Dega-Szafran, 2002 .

Synthesis, spectral and B3LYP analysis of 1-R-2-oxo-pyrido[2,1b][3,4]dihydro-pyrimidinium halides

M. Szafran, I. Kowalczyk, 2006 .

Conformational richness and multiple Z' in salt co-crystal of N-methylpiperidine betaine with N-methylpiperidine betaine hexafluorosilicate.

M. Jaskólski, M. Szafran, R. Thaimattam, 2008, Acta crystallographica. Section B, Structural science.

Unusual hydrogen-bonding aggregation in 4-amino-1-(2-carboxyethyl)pyridinium bromide hemihydrate

M. Szafran, A. Katrusiak, Z. Dega-Szafran, 2012 .

Rare stoichiometry of carboxyl–carboxylate benzbetaine complexes: in vitro versus in silico

M. Szafran, A. Katrusiak, A. Komasa, 2015 .

Evidence for single-minimum potentials for intramolecular hydrogen bonds of substituted picolinic acid N-oxides

M. Szafran, Z. Dega-Szafran, Monika Grundwald-Wyspiańska, 1992 .

Crystal and molecular structure of 8-hydroxyquinoline betaine monohydrate studied by X-ray, FTIR, NMR and DFT

M. Szafran, A. Katrusiak, A. Komasa, 2022, Journal of Molecular Structure.

Structural, spectroscopic and theoretical studies of 8-hydroxyquinolinium bromide and its monohydrate

M. Szafran, A. Katrusiak, A. Komasa, 2019, Vibrational Spectroscopy.

X-Ray, FTIR and quantum chemical studies of short and asymmetric hydrogen bonds in bis(2,6-dimethylpyridine-N-oxide) sulphate [2,6-(CH3)2C5H3N+OH]2[SO2−4]

M. Szafran, E. Tykarska, Z. Dega-Szafran, 1997 .

Conformational Analysis of N-Methylpyrrolidine Betaine Hydrochloride by X-Ray Diffraction and Ab Initio Calculations

M. Szafran, J. Koput, Z. Dega-Szafran, 1998 .

Structural, spectroscopic and computational studies of the 2:1 complex of nipecotic acid with squaric acid

M. Szafran, A. Komasa, E. Bartoszak-Adamska, 2014 .