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1

Aromaticity as a quantitative concept. 1. A statistical demonstration of the orthogonality of classical and magnetic aromaticity in five- and six-membered heterocycles

Katritzky, Alan R., Barczynski, Piotr, Musumarra, Giuseppe, Pisano, Danila, Szafran, Miroslaw

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 1.12 MB

english, 1989

2

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

Katritzky, Alan R., Baykut, Gokhan, Rachwal, Stanislaw, Szafran, Miroslaw, Caster, Kenneth C., Eyler, John

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1989

Language:

english

File:

PDF, 878 KB

english, 1989

3

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

Alan R. Katritzky, Miroslaw Szafran, Ernst Anders, N. Malhotra, Sana Ullah Chaudry

Journal:

Tetrahedron Computer Methodology

Year:

1990

Language:

english

File:

PDF, 1.12 MB

english, 1990

4

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

Prof. Dr. Alan R. Katritzky, Vladimir Feygelman, Prof. Dr. Giuseppe Musumarra, Prof. Dr. Piotr Barczynski, Prof. Dr. Miroslaw Szafran

Journal:

Advanced Synthesis & Catalysis

Year:

1990

Language:

english

File:

PDF, 710 KB

english, 1990

5

Aromaticity as a Quantitative Concept. 2. Sixteen familiar five- and six-membered monocyclic heterocycles

Prof. Dr. Alan R. Katritzky, Vladimir Feygelman, Prof. Dr. Giuseppe Musumarra, Dr. Piotr Barczynski, Prof. Dr. Miroslaw Szafran

Journal:

Advanced Synthesis & Catalysis

Year:

1990

Language:

english

File:

PDF, 839 KB

english, 1990

6

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

Zofia Dega-Szafran, Anna Kania, Barbara Nowak-Wydra, Miroslaw Szafran

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 590 KB

english, 1994

7

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

Zofia Dega-Szafran, Ewa Dulewicz, Mirosław Szafran

Journal:

Magnetic Resonance in Chemistry

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

8

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

Zofia Dega-Szafran, Mirosław Szafran, Jerzy Sitkowski, Lech Stefaniak

Journal:

Journal of Physical Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 387 KB

english, 1996

9

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

Zofia Dega-Szafran, Grzegorz Schroeder, Mirosław Szafran

Journal:

Journal of Physical Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 111 KB

english, 1999

10

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

Miroslaw Szafran, Jacek Koput

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 445 KB

english, 1991

11

Reconsideration of solvent effects calculated by semiempirical quantum chemical methods

Miroslaw Szafran, Mati M. Karelson, Alan R. Katritzky, Jacek Koput, Michael C. Zerner

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 621 KB

english, 1993

12

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

Bogumil Brycki, Miroslaw Szafran

Journal:

Magnetic Resonance in Chemistry

Year:

1992

Language:

english

File:

PDF, 509 KB

english, 1992

13

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

Zofia Dega-Szafran, Barbara Nowak-Wydra, Miroslaw Szafran

Journal:

Magnetic Resonance in Chemistry

Year:

1993

Language:

english

File:

PDF, 297 KB

english, 1993

14

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

Bogumił Brzezinski, Miroslaw Szafran

Journal:

Magnetic Resonance in Chemistry

Year:

1981

Language:

english

File:

PDF, 476 KB

english, 1981

15

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

Zofia Dega-Szafran, Miroslaw Szafran

Journal:

Journal of Molecular Structure

Year:

1978

Language:

english

File:

PDF, 314 KB

english, 1978

16

Crystal and molecular structure of cytosine trichloroacetate

Maria Gdaniec, Bogumil Brycki, Miroslaw Szafran

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 444 KB

english, 1989

17

Formation of the homoconjugated cation (NO⋯H⋯ON)+ of N-dodecyl-N,N-dimethylamine oxide in carbon tetrachloride

Bogumił Brycki, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1990

Language:

english

File:

PDF, 609 KB

english, 1990

18

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

Zofia Dega-Szafran, Monika Grundwald-Wyspiańska, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 412 KB

english, 1992

19

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

Zofia Dega-Szafran, Maria Gdaniec, Monika Grundwald-Wyspianska, Zofia Kosturkiewicz, Jacek Koput, Piotr Krzyzanowski, Miroslaw Szafran

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 1.62 MB

english, 1992

20

A critical review of the isotope effect in IR spectra

Miroslaw Szafran, Zofia Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 1.49 MB

english, 1994

21

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

Zofia Dega-Szafran, Maria Gdaniec, Monika Grundwald-Wyspiańska, Iwona Kowalczyk, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 859 KB

english, 1994

22

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

Zofia Dega-Szafran, Monika Grundwald-Wyspiańska, Anna Kania, Zofia Kosturkiewicz, Ewa Tykarska, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 858 KB

english, 1995

23

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

Zofia Dega-Szafran, Anna Kania, Monika Grundwald-Wyspiańska, Mirosław Szafran, Ewa Tykarska

Journal:

Journal of Molecular Structure

Year:

1996

Language:

english

File:

PDF, 1.08 MB

english, 1996

24

Calculation of the vibrational spectra of pyridine betaine

Mirosław Szafran, Jacek Koput

Journal:

Journal of Molecular Structure

Year:

1996

Language:

english

File:

PDF, 605 KB

english, 1996

25

Osmotic and activity coefficients of some pyridine complexes with halogenoacetic acids in benzene at 25°C

Zopia Dega-Szapran, Mirosław Szafran

Journal:

Journal of Molecular Liquids

Year:

1983

Language:

english

File:

PDF, 187 KB

english, 1983

26

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

Bogumił Brycki, Mirosław Szafran

Journal:

Journal of Molecular Liquids

Year:

1984

Language:

english

File:

PDF, 474 KB

english, 1984

27

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

Piotr Barczyński, Zopia Dega-Szafran, Mirosław Szafran

Journal:

Journal of Molecular Liquids

Year:

1987

Language:

english

File:

PDF, 694 KB

english, 1987

28

IR and 1H NMR spectra of the strongly hydrogen-bonded complex (CF3COOH⋯OOCCF3)N(Bu)4 in organic solvents

Monika Grundwald-Wyspianska, Mirosław Szafran

Journal:

Journal of Molecular Liquids

Year:

1987

Language:

english

File:

PDF, 458 KB

english, 1987

29

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

Zofia Dega-Szafran, Ewa Dulewicz, Miroslaw Szafran

Journal:

Journal of Molecular Liquids

Year:

1991

Language:

english

File:

PDF, 385 KB

english, 1991

30

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.

Bogumil Brycki, Miroslaw Szafran

Journal:

Journal of Molecular Liquids

Year:

1994

Language:

english

File:

PDF, 820 KB

english, 1994

31

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

Zofia Dega-Szafran, Monika Grundwald-Wyspiańska, Mirosław Szafran

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1991

Language:

english

File:

PDF, 530 KB

english, 1991

32

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

Zofia Dega-Szafran, Monika Grundwald-Wyspiańska, Mirosław Szafran

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1991

Language:

english

File:

PDF, 464 KB

english, 1991

33

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

Mirosław Szafran, Iwona Kowalczyk, Andrzej Katrusiak

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 348 KB

english, 2006

34

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

Mirosław Szafran, Barbara Nowak-Wydra, Andrzej Katrusiak, Zofia Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 669 KB

english, 2006

35

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

Zofia Dega-Szafran, Andrzej Katrusiak, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 446 KB

english, 2008

36

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

Elżbieta Bartoszak-Adamska, Zofia Dega-Szafran, Magdalena Krociak, Mariusz Jaskolski, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 394 KB

english, 2009

37

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

Mirosław Szafran, Zofia Dega-Szafran, Barbara Nowak-Wydra, Mariusz Pietrzak

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 207 KB

english, 2001

38

Conformational preferences of isostructural N-methylpiperidine betaine and (1-methylcyclohexyl)acetic acid studied by PM3 and B3LYP calculations. The effect of electrostatic interactions on the rotation barrier

Mirosław Szafran, Zofia Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 168 KB

english, 2001

39

Crystal structure and vibrational spectrum of N-methylpiperidine betaine hexafluorosilicate

Mirosław Szafran, Zofia Dega-Szafran, Anthony Addlagatta, Mariusz Jaskólski

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 239 KB

english, 2001

40

Crystal and molecular structure of N-methylpiperidine betaine hydrobromide

Zofia Dega-Szafran, Ewa Tykarska, Ewa Dulewicz, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 122 KB

english, 2002

41

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

Mirosław Szafran, Andrzej Katrusiak, Zofia Dega-Szafran, Sylwia Dymarska, Monika Grundwald-Wyspiańska

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 210 KB

english, 2002

42

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

Zofia Dega-Szafran, Mariusz Jaskólski, Mirosław Szafran, Ewa Dulewicz

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 316 KB

english, 2002

43

FTIR studies of complexes of N-methylmorpholine betaine with phenols

Zofia Dega-Szafran, Mirosław Szafran, Ewa Sokołowska, Monika Grundwald-Wyspiańska

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 225 KB

english, 2002

44

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

Zofia Dega-Szafran, Anna Komasa, Monika Grundwald-Wyspiańska, Mirosław Szafran, Grzegorz Buczak, Andrzej Katrusiak

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 616 KB

english, 1997

45

Hydrogen bonds in 1:2 complexes of substituted pyridine N-oxides with pentachlorophenol

Zofia Dega-Szafran, Zofia Kosturkiewicz, Ewa Tykarska, Miroslaw Szafran, Dariusz Lemański, Bolesław Nogaj

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 420 KB

english, 1997

46

Calculation of the vibrational spectra of betaine hydrochloride

Miroslaw Szafran, Jacek Koput

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 681 KB

english, 1997

47

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

Jan Baran, Zofia Dega-Szafran, Mariusz Jaskólski, Mariusz K Marchewka, Henryk Ratajczak, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 295 KB

english, 1997

48

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]

Mirosław Szafran, Ewa Tykarska, Zofia Dega-Szafran

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 537 KB

english, 1997

49

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

Grzegorz Buczak, Zofia Dega-Szafran, Andrzej Katrusiak, Mirosław Szafran

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 668 KB

english, 1997

50

Structure and vibrational spectra of pyridine betaine hydrochloride

Mirosław Szafran, Jacek Koput, Jan Baran, Tadeusz Głowiak

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 1.35 MB

english, 1997

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