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List of reviews, popular articles and original papers
Reviews in Polish
Reviews in English
Popular articles and books
Orginal papers
Reviews
(in Polish)
- Krygowski T. M., Grzegorczyk M.,: "Teoretyczne uzasadnienie"
metody Rozdział w monografii Krygowski B., Graniformametria
mechaniczna, Teoria i zastosowanie, PTPN, Poznań 1964 str. 28-40
- Krygowski T. M., Wiad.Chem. 28, 37, 1974. Równanie Hammetta-Steitwiesera.
- Krygowski T. M., Rozprawy Uniwersytetu Warszawskiego. (1974)
Przejawy zmian strukturalnych we wlaściwościach fizykochemicznych
cząsteczek związków π-elektronowych.
- Krygowski T. M., Kruszewski J., Wiad. Chem. 29, 113, 1975. Definicje i kryteria indeksów aromatyczności.
- Krygowski T. M., Lipsztajn M., Wiad. Chem. 31, 729, 1977.
Rola środowiska reakcji w elektroredukcji nitrozwiązków aromatycznych.
- Krygowski T. M., Kruszewski J., Ilościowe kryteria
aromatyczności. Monografia Prace Nauk. Inst.Chemii Org. i Fiz.
Politechniki Wrocławskiej, Wrocław (1978).
- Krygowski T. M., Czermiński J. B., Wiad. Chem., 32, 547, 1978. Chemiczne modele efektu rozpuszczalnikowego.
- Czermiński J. B., Krygowski T. M., Wiad. Chem. 32, 259, 1978. Fizyczne modele efektu rozpuszczalnikowego.
- Krygowski T. M., Wrona T.K., Statystyczne opracowanie danych
doswiadczalnych str. 38 w Elektroanalityczne metody wyznaczania stalych
fizykochemicznych pod red. Z.Galus, PWN Warszawa 1979.
- Krygowski T. M., Lasia A., Wyznaczanie stałych równowagi reakcji chemicznych metodami elektrochemicznymi str. 129 j.w.
- Krygowski T. M., Wiad. Chem. 35, 315, 1981. O relacjach między strukturą a reaktywnością.
- Krygowski T. M., Wiad. Chem. 41, 7, 1987. Analiza korelacyjna w krystalochemii organicznej.
- Krygowski T. M., Wiad. Chem. 43, 861, 1989. Co krystalografia może dać chemikowi.
- Krygowski T. M., Woźniak K.,Wiad. Chemiczne, 46, 4353, 1992. Strukturalne skutki wiązania wodorowego.
- Cyrański, M. K., Krygowski, T.M., Wiad. Chemiczne, 54, 533, 2000, Ilościowe kryteria aromatyczności.
- Cyrański, M. K., Krygowski, T.M., Wiad. Chemiczne, 54, 533,
2000, Aromatyczność - podstawowe pojęcie współczesnej chemii
organicznej.
Reviews
(in English)
- Kemula W., Krygowski T. M., Chapt. XIII-2, Nitroso compounds, in
Encyclopedia of Electrochemistry of the Elements Vol.13 p. 78-130,
A.J.Bard and H.Lund Edts. M.Dekker (1979)
- Kemula W., Krygowski T. M., Chapt.XIII-3, Nitroso compounds,
in Encyclopedia of Electrochemistry of the Elements Vol.13, p. 131-161,
A.J.Bard and H.Lund Edts. M.Dekker (1979)
- Kalinowski M. K., Krygowski T. M. Croat. Chim Acta 58, 107
(1985) Application of the LFER in Organic Electrochemistry:
Interpretation of the Hammett Reaction Constant (rho) for Processes of
Reversible Electroreduction in Aprotic Solvents.
- Krygowski T.M., Structure and Reactivity Edt. J. L. Liebman
and A. Greenberg, (VerlagChemie, 1988) 231-254. Resonance structure
contributions derived from the experimental geometry of molecules.
- Krygowski T. M., Progr. in Phys. Org. Chem. Vol. 17, Edt.
R.W. Taft (1990) 239-291, Correlation analysis in organic crystal
chemistry.
- Krygowski T. M. & Wozniak K. in Similarity models in
organic chemistry, biochemistry and related fields. Edts. R. I.
Zalewski, T. M. Krygowski & J. Shorter, Elsevier (1991). Similarity
models: statistical tools and problems in using them.
- Krygowski, T. M. Organic crystal chemistry. Edited by J. B.
Garbarczyk and D. W. Jones, Oxford Univ. Press (1991), 55-73.
Crystallographic studies of inter and intramolecular interactions.
- Krygowski T. M., Wozniak, K. in The Chemistry of Amidines
and Imidates. Edt. by S. Patai and Z. Rappaprt, (1991), Vol.2, 102-145.
Structural chemistry of amidines and related systems.
- Woźniak K., Krygowski T. M., in Correlations,
transformations, and interactions in organic crystal chemistry. Edt. by
D.W.Jones and A. Katrusiak Oxford Univ. Press (1994), 177-202.
Long-range consequences of hydrogen bonding: a partial correlation
approach to relationships among structural parameters.
- Exner O., Krygowski T. M., Chem. Soc. Rev. (1996), 71. The Nitro Group as Substituent.
- Krygowski T.M. and Cyranski M.K., in Advances in Molecular
Structure Research, JAI Pres Inc. 1997, M. Hargittai and I. Hargittai
Edts, vol. 3,: "Aromatic Character of carbocyclic π-electron systems
deduced from molecular geometry". pp.227- 268.
- Krygowski T. M. and Cyranski M.K., in Theoretical and
Computational Chemistry Elsevier Science, 1998, C. Parkanyi Ed., Vol. 5
" Molecular Geometry as a Source of Chemical Information for π-Electron
Compounds" pp. 153 - 187.
- Krygowski, T.M., Cyrański, M.K., Czarnocki, Z., Haefelinger,
G., Katritzky, A.R., Tetrahedron, 56, 1783, 2000. Aromaticity: a
theoretical concept of immense practical importance.
- Krygowski, T.M., Cyrański, M.K., Chem. Rev. 101, 1 (2001) Structural aspects of aromaticity.
- Grabowski, S. J., Krygowski, T.M., in: Advances in
Quantitative Structure - Property Relationships; Marvin Charton and
Barbara Charton, Edts, JAI - Elsevier 2002; vol. 3, pp. 27 - 66.
"Molecular Geometry as a Source of Chemical Information - Application
of the Bond Valence - Bond Number Models"
2003
- Krygowski, T. M., Cyrański, M. K., Angular Group Induced
Bond Alternation (AGIBA). A New Face of Substituent Effetc Detected in
Molecular Geometry. Synlett, 7, 922 - 36, 2003.
-
Krygowski, T.M., Cyrański, M.K., Phys.Chem. Chem. Phys. 2004, 6, 249 - 55, ,
Two faces of the structural aspects of aromaticity.
- Krygowski, T. M., Stępień, B. T., Chem. Rev. 2005, 105, 3482, Sigma and Pi- Electron Delocalization: Focus on Substituent Effects.
- Sobczyk, L., Grabowski, S. J., Krygowski, T.M., Chem. Rev. 2005, 105, 3513
Interrelation Between H-Bonding and p-Electron Delocalization
- Krygowski, T.M.; Zachara J.E., Distant Consequences of Hydrogen Bonding. S.J.Grabowski Ed., in: Challenges and Advances In Computational Chemistry and Physics, Vol. 3 Hydrogen Bonding - New Insights. Pp. 417 - 39.
2007
- Krygowski, T. M., Szatyłowicz, Research Trends - Trends In Organic Chemistry, Interrelation between the substituent effects, pi-electron delocalization and H-bonding.
Popular articles and books
- Krygowski T. M., Chemia w szkole, (1993),1, (196) XXXIX, 5 - 11, Ewolucja poglądów na aromatyczność.
- Krygowski T.M., Chemia w szkole, (1994), (202) XL, 67-77. Czy można zobaczyć wiązanie chemiczne?
- Krygowski, T.M., Oficyna Edukacyjna Krzysztof Pazdro, Warszawa, 1994. 1-91,Chemia wokół nas,
- Krygowski, T. M., Niedziałki, 2005, XI, 27. Czy chemia nas truje?
Original papers
- Krygowski B., Krygowski T. M., J. Sed. Petrology, 35, 496, 1965.
Mechanical Method of Estimation of the Abrasion Grade of sand Grains.
- Kemula W., Krygowski T. M., Bull. Acad. Polon. Sci. Chim., 15, 479,
1967. The Effective Inductive Parameter Model of the Substituent Influences
in Huckel Molecular Orbital Theory. Mono-substituted Antharaquinones.
- Kemula W., Krygowski T. M., Tetrahedron Letters, 5135, 1968, Substituent
Effects in Poorly Aromatic Systems; Dichloro -anthraquinones and Related
Semiquinone Radicals.
- Kruszewski J., Krygowski T. M., Tetrahedron Letters, 319, 1970, A
Quantum Chemical Approach to the Definition of Aromaticity.
- Krygowski T. M., Tetrahedron Letters, 1311, 1970, Aromaticity and
Classification of pi-Electron Systems.
- Krygowski T. M., Tomasik P., Bull. Acad. Polon. Sci., Ser. Sci. Chim.,
18, 303, 1970. HMO-EIP Interpretation of Substituent Effects in Polarography
of some Aromatic Nitro- and Azo-Compounds.
- Kemula W., Kalinowski M. K., Krygowski T. M., Lewandowski J., Walasek
W., Bull. Acad. Polon. Sci., Ser. Sci. Chim., 18, 455, 1970. Investigation
of N-Nitroderivatives. Equlibria of Nitrourea and Nitroguanidine in
Aqueous Solutions.
- Krygowski T. M., Bull. Acad. Polon. Sci., Ser. Sci. Chim., 18, 463,
1970. HMO-Interpretation of the Hammett-Substituent Constants in Para
Position. A new method of Verification of Parameters for HMO-Heteroatom
Integrals.
- Kuthan J., Krygowski T. M., Tetrahedron. Letters, 4109, 1970. HMO-Perturbational
Considerations of Correlations between Chemical Shifts and some Theoretical
Indices of Reactivity.
- Krygowski T. M., Bull. Acad. Polon. Sci., Ser. Sci. Chim., 19, 49,
1971. Extension of the Hammett-Equation on the Polynuclear Benzenoid
Hydrocarbons: the Hammett-Streitwieser Equation.
- Krygowski T. M., Bull. Acad.Polon. Sci., Ser.Chim., 19, 61, 1971.
Extension of the Hammett Equation on the Monosubstituted Polynuclear
Benzenoid Hydrocarbons- Extended Hammett-Streitwieser Equation.
- Kamieński B., Krygowski T. M., Tetrahedron Letters, 103, 1971. HMO-EIP
Treatment of the NMR Proton Chemical Shifts of Monosubstituted Thiophenes.
- Krygowski T. M., Bull. Acad. Sci., Ser. Sci. Chim., 19, 433, 1971.
Hammett-Streitwieser Equation: The Principle of Additivity.
- Krygowski T. M., Bull. Acad. Sci., Ser. Sci. Chim., 19, 753, 1971.
Hammett-Streitwieser Equation: Application to Charge Transfer Spectra
of Benzenoid Hydrocarbons.
- Krygowski T. M. Bull. Acad. Sci., Ser. Sci. Chim., 19, 743, 1971.
A Quantum-Chemical Interpretation of Hammett s RHO constants: The Case
of Polarographic Reversible Processes.
- Krygowski T. M., Stencel M., Galus Z., J.Electroanal.Chem. 39, 395,
1972. Polarographic and Voltametric Study of Monosubstituted Nitro-Derivatives
of Benzenoid Hydrocarbons in DMF-Interpretation within Hammett-Streitwieser
Equation and HMO Theory.
- Kruszewski J., Krygowski T. M., Tetrahedron Letters, 3839, 1972.
Harmonical Oscillator Approach to the Definition of Aromaticity.
- Kamieński B., Krygowski T. M., Tetrahedron Letters, 681, 1972. Application
of the Hammett-Streitwieser Equation to Interpretation of the Chemical
Shifts of Nonaromatic Protons in Substituted Arenes.
- Krygowski T. M., J. Electroanal. Chem. 39, 436, 1972. An Empirical
Equation of 1,2- and 1,4-Naphtoquinones in the Presence of Ion Paring
Phenomena
- Krygowski T. M., Tetrahedron, 28, 491, 1972. Towards the Unification
of the Substituent (Position) Constants in Hammett- Streitwieser Equation.
- Kruszewski J., Krygowski T. M., Bull. Acad. Polon. Sci Ser., Sci
Chim., 20, 993, 1972. An Empirical Approach to the Definition of Aromaticity
of the Benzenoid Hydrocarbons- Application of the Hammett-Streitwieser
Equation.
- Kruszewski J., Krygowski T. M., Bull. Acad. Polon. Sci Ser., Sci
Chim., 20, 907, 1972. Definition of Aromaticity Based on the Harmonic
Oscillator Model.
- Kruszewski J., Krygowski T. M., Soc. Sci. Lodz.Acta Chimica, 18,
35, 1973. An Attempt to Verification of the Aromaticity Indices.
- Krygowski T. M., Lipsztajn M., Galus Z., J.Electronical.Chem. 41,
261, 1973. Ion Pair Formation Effects in the Revesible Electroreduction
of Nitrobenzene in DMF.
- Krygowski T. M., Kruszewski J., Bull.Acad.Polon.Sci., Ser. Sci. Chim.,
21, 409, 1973. Bond Reactivity Index (BRI) in Terms of Harmonic Oscillator
Theory.
- Krygowski T. M., Kruszewski J., Bull. Acad. Polon. Sci., Ser. Sci.
Chim., 21, 509, 1973. Aromaticity of Annulenes in Terms of some Theoretical
and Experimental Indices of Aromaticity.
- Krygowski T. M., J. Mol. Struct., 17, 168, 1973. CC-bond Lengths
in Radicals Molecules from ESR-spectral Data.
- Tomasik P., Krygowski T. M., Bull. Acad. Polon. Sci., Ser. Sci. Chim.,
22, 443, 1974. Hammett- Type Approach to the Substituent Effects in
the UW Absorption Spectra of Aromatic Compounds. Part I. The Spectra
of para-Disubstituted Benzene Derivatives.
- Tomasik P., Krygowski T. M., Chellahatturai T., Bull. Acad. Polon.
Sci., Ser. Sci. Chim. 22, 877, 1974. Part.II. The Spectra of meta-Disubstituted
Benzene Derivatives.
- Tomasik P., Krygowski T. M., Bull. Acad. Polon. Sci., Ser. Sci. Chim
.22, 1065, 1974. Part III. The Spectra of ortho-Disubstituted Benzene
Derivatives.
- Krygowski T. M., Kruszewski J., Bull. Acad. Polon. Sci., Ser. Sci.
Chim .22, 1059, 1974. Application of the Hammett-Streitwieser Equation
to the Prediction of para-Bond Location in the UV Spectra of Benzenologues
of Perylene and Fluoranthenes.
- Krygowski T. M., Kruszewski J., Bull.Acad.Polon.Sci., Ser. Sci. Chim.,
22, 871, 1974. Aromaticity of Tiophene, Pyrrole and Furan in Terms of
Aromaticity Indices and Hammett RHO Constants.
- Lipsztajn M., Krygowski T. M., Galus Z., J.Electroanal.Chem. 49,
17, 1974. Polarographic Investigations of the Interactions between Nitrobenzene
Radical Anions, Water and Univalent Cations in DMF/ Water Mixtures.
- Krygowski T. M., Perjessy A., Bull.Acad.Polon Sci., Ser. Sci. Chim.,
22, 437, 1974. Interpretation of the Hammett RHO Constant within the
Simple HMO Theory.
- Lipsztajn M., Krygowski T. M., Laren E., Galus Z., J. Electroanal.
Chem., 54, 315, 1974. Electochemical Investigations of Intermediate
in Electro-reduction of Aromatic Nitro- and Nitroso- Compounds in DMF.
Part.I. Electro-chemical Behaviours of Azoxybenzene.
- Lipsztajn M., Krygowski T. M., Laren E., Galus Z., J. Electroanal.
Chem., 57, 339, 1974. Part II. Electrochemical Behaviour of Nitrobenzene.
- Kruszewski J., Krygowski T. M., Can. J. Chem., 53, 946, 1975. An
Extension of the Hückel 4N+2 Rule to Polycyclic Nonalternant Conjugated
Hydrocarbons.
- Krygowski T. M., Lipsztajn M., Radzikowski P., J. Mol. Structure.
28, 163, 1975. Quantum Chemical Approach to the Ion Pair Formation /IPF/
Equlibrium Constants of Nitrobenzene Radical Anions with Univalent Cations
and Water Molecules.
- Krygowski T. M., Fawcett R. W., J. Am. Chem. Soc., 97, 2143 1975.
A Complementary Lewis Acid-Base Description of Solvent Effects. Part.I.
Ion-Ion and Ion-Dipole Interactions.
- Fawcett W.R., Krygowski T. M., Austr. J. Chem., 28, 2125, 1975. Part
II. Dipole-Dipole Interactions.
- Kruszewski J., Krygowski T. M., Bull. Acad. Polon. Sci., Ser. Sci.
Chim. 23, 821, 1975. Quasiaromaticity and Quasiantiaromaticity. The
Dewar PMO Treatment of Stabilization of some H-Bonded Systems.
- Krygowski T. M., Fawcett W. R., Can. J. Chem. 53, 3622, 1975. Separation
of the Enthalpic and Entropic Contribution to Substituent Effect from
the Ionization Equlibria Constant of Aromatic Acids.
- Fawcett W. R., Krygowski T. M., Can. J. Chem., 54, 3883, 1976. A
Characteristic Vector Analysis of Solvent Effects for Thermodynamic
Data.
- Fawcett R.W., Krygowski T. M., J. Electroanal. Chem., 77, 47, 1977.
Separation of the Enthalpic and Entropic Contributions to Substituent
Effects for the Electroreduction of Organic Molecules.
- Lipsztajn M., Krygowski T. M., Galus Z., J. Electroanal. Chem. 81,
347, 1977. Electrochemical Characteristics of Additional /red-ox/ Systems
formed during the Electroreduction of Nitroso- Azoxy- and Azo-benzene.
- Krygowski T. M., Fawcett W. R., J. Chem. Soc. Perkin II, 2033 1977.
The Analysis os Substituent Effects for Reactions not Following the
Hammett Relation.
- Lipsztajn M., Krygowski T. M., Smolarz M., Szelagowska W., Pol. J.
Chem., 52 , 1969, 1978. Substituent Effects in Electroreduction of Nitrobenzene
in DMF.
- Krygowski T. M., Guilleme J., Wojtkowiak B., J. Chem. Soc. Perkin
II. 1143, 1979. Limitation of the Hepler Theory of the Hammett Equation.
- Luanay G., Wojtkowiak B., Krygowski T. M., Can. J. Chem. 57, 3065,
1979. Substituent and Solvent Effects on Lewis Acidity of para-Substituted
Anilines : Symmetry of Intractions.
- Krygowski T. M. Milczarek E., Wrona P. K., J. Chem. Soc. Perkin II,
1563, 1980. An Extension of the Kamlet-Tafft Basicity Scale of Solvent.
- Krygowski T. M., Radomski J. P., Rzeszowiak A., Wrona P. K., Reichardt
Ch., Tetrahedron 37, 119, 1981. An Empirical Relationship between the
Elvent Strengh Parameter E and Solvent Lewis Acidity and Basicity.
- Krygowski T. M., Więckowski T., Croat. Chim. Acta 54, 193, 1981.
Analysis of the H-Bridge in Carboxylic Acids in Terms of Stabilization
Energy Derived from Bond Lengths. Non-Hammett Properties of p-Substituted
Benzoic Acids in the Crystalline State.
- Więckowski T., Krygowski T. M., Can. J. Chem., 59, 1622, 1981. Crystallographic
Studies and Physicochemical properties of π-Electron Compounds. part
I. Crystal and Molecular Structure of 6-N,N-diacetyloamino Chrysene
/DAAC/.
- Taniewska - Osińska, S., Kamińska - Bartel L., Piekarski, H. and
Krygowski, T. M., Can. J. Chem., 59, 817, 1981. Application of the Hancock
steric constants to interpretation of heat of solution of benzamide
in aliphatic alcohols.
- Khand M. A., Krygowski T. M., Bull. Acad. Polon. Sci., Ser. Sci Chim.
28, 783, 1980 [publie en mars (1982)]. The Ion-Pair Formation between
Nitrobenzene Radical Anions and Na and (C H ) in Mixture of DMSO and
Acetonitrile.
- Krygowski T. M., Guilleme J., J. Chem. Soc. Perkin II. 531, 1982.
An Attempt at Interpretation of the Goulden Plot in Terms an Isokinetic
Relationship.
- Geltz Z., Kokocińska R., Zalewski R., Krygowski T. M., J. Chem. Soc.
Perkin Trans II. 1069, 1983. Thermodynamics of Benzoic Acid Protonation.
- Krygowski T. M., Reichardt Ch., Wrona P., Wyszomirska C., Zielkowska
U., J. Chem. Res. (S), 116, 1983. Empirical Parameters of Lewis Basicity
of Binary Solvent Mixtures. Mixtures with Methanol.
- Krygowski T. M., Anulewicz R., Kruszewski J., Acta Cryst. B39, 732,
1983. Crystallographic Stidies and Physicochemical Properties of π-Electron
Compounds. Part III. Stabilization Energy and the Kekule Structure Contributions
Derived from Experimental Bond Lengths.
- Krygowski T. M., J.Chem.Res.(S), 238, 1984. Crystallographic tudies
and Physicochemical Properties of π-Electron Systems. Part V. Substituent
Effect on the Geometry of the Benzene Ring in Benzene Derivatives.
- Krygowski T. M., Więckowski T., Sokołowska A., Croat. Chem. Acta.
57, 229, 1984. Infrared and Raman Studies of Carbonyl Group Frequencies
of p-Substituted Benzoic Acids in the Crystalline State.
- Grabowski S. J., Krygowski T. M., Material Science, 9, 145, 1984.
Analysis of the orientational disorder in crystals of carboxylic acids.
- Krygowski T. M., Anulewicz R., Material Science, 9, 85, 1984. Approximate
estimation of the charge transfer in EDA-complexes in crystals : the
case of 7,7,8,8-tetracyanoquinodimethane (TCNQ).
- Więckowski T., Krygowski T. M., Croat.Chem.Acta 58, 5, 1985. Crystallographic
Studies and Physicochemical Properties of π-Electron Compounds. Part.
II. Crystal and Molecular Structure of 2,4-Dinitrobenzoic Acid.
- Kalinowski M. K., Krygowski T. M., Croat. Chim. Acta 58, 107 1985.
Application of the LFER in Organic Electrochemistry : Interpretation
of the Hammett Reaction Constants (rho) for Processes of Reversible
Electroreduction in Aprotic Solvent.
- Krygowski T. M., Wrona P. K., Zielkowska U., Reichardt Ch., Tetrahedron
41, 4519, 1985. Empirical Parameters of Lewis Acidity and Basicity for
Aqueous Binary Solvent Mixtures.
- Grabowski S. J., Krygowski T. M., Acta Cryst. C41, 1224, 1985. Crystallographic
Studies and Physicochemical Properties of π-Electron Compounds. Part.
IV. Structure of 2,5-dinitrobenzoic acid.
- Milart P., Krygowski T. M., Can. J. Chem. 63, 3256, 1985. Analysis
of Solvent and Substituent Effects on UV and Visible Spectra of N-/(-methylarylidene/-p-/N,N
-dimethylamino - anilines.
- Karolak-Wojciechowska J., Anulewicz R., Krygowski T. M., Kryszewski
M., Pęcherz J., Acta Cryst. C42, 172, 1986. Structure of p-Phenylenedi-methylenebis
(dimethylsulfonium)-7,7, 8,8-Tetracyano-p-quinodimethanide (1/3).
- Krygowski T. M., Häfelinger G., Schüle J., Z. Naturforsch.
41b, 895, 1986. Interpretation of Substituent Angular Parameters of
Monosubstituted Benzenes by Means of ab initio STO-3G Fully Optimized
Molecular Structures and Charge Densities. Part VI of the Series Crystallographic
Studies and Physicochemical Properties of π-Electron Systems.
- Krygowski T. M., Häfelinger, J.Chem.Res. (S), 348, 1986. Crystallographic
Studies and Physicochemical Properties of p-Electron Systems. Part.
10. Ab initio STO-3G Interpretation of Hammett Substituent Constants.
- Maurin J. K., Krygowski T. M., Acta Cryst. C43, 64, 1987. Structure
of N,N-Dimethyl-2,4-dinitro-3-toluidine. Part 12 of the Series : Crystallographic
Studies and Physicochemical Properties of π-Electron Systems.
- Anulewicz R., Häfelinger G., Krygowski T. M., Regelman C., Ritter.,
Z.Naturforsch. 42b 917, 1987. Crystallographic Studies and Physicochemical
properties of π-Electron Systems. Part VII. Refinement of the Crystal
and Molecular Structure of p-N,N-Dimethylaminobenzoic Acid. Full ab
initio STO-3G Optimization of its Molecular Geometry and Empirical Analysis
of Substituent Effects on the Geometry of Benzene Rings in p-Substituted
Benzoic Acid.
- Maurin J., Krygowski T. M., J. Mol. Struct. 158, 359, 1987. Crystallographic
Studies and Physicochemical Properties of π-Electron Systems. Patr
VIII. Crystal and molecular structure of N,N-dimethyl-4-nitro-2,6-xylidine.
Application of the Walsh Rule to p-substituted Nitrobenzenes.
- Krygowski T. M., J.Chem.Res. 120, 1987. Crystallographic Studies
and Physicochemical Properties of π-Electron Compounds. Part 13.
Substituent Effect on the Geometry of the Ring in para Substituent Benzene
Derivatives with Inter- and Intra-molecular Charge Transfer.
- Anulewicz R., Krygowski T. M., Pniewska B., J. Cryst. Spectr. Res.
661, 1987, Molecular structure od N,N-diphenylformamidine. Part 15 of
the Series: Crystallographic Studies and Physicochemical Properties
of π-Electron Systems.
- Maurin J., Krygowski T. M., Acta Cryst. C43, 2381, 1987. Crystallographic
Studies and Phiysicochemical Systems. XVI. The Structure of N,N-Diethyl-3,4-dinitroaniline:
Non-Additivity of Substituent Effect on the Geometry of the Benzene
Ring.
- Krygowski T. M., Turowska-Tyrk I., Chem. Phys. Lett. 90, 1987. Deformation
Directions Obtained from Atom-Atom Potentials Molecular Deformations
in Crystals.
- 79. Firlej, L., Graja, A., Rajchel, A., Woźniak, K., Krygowski, T. M., Phys. Stat. Sol.
(b) 140, 437, 1987, The 7,7,8,8-tetracyano-p-quinodimethanide Salt of
the N-n-Propyl Quinoxalinum Cation - Its Structure, Conductivity, and Triplet spin Excitations.
- Maurin J., Krygowski T. M., J. Mol. Stuct. 172, 413, 1988. Crystallographic
Studies amd Physicochemical Properties of π-Electron Systems. Part
XIV. Crystal and Molecular Structure of N,N-dimethyl-p-nitroaniline.
- Turowska-Tyrk I., Krygowski T. M., Gdaniec M. Häfelinger G.,
Ritter G., J.Mol.Struct. 172, 401, 1988. Crystallographic Studies and
Physico-chemical Properties of π-Electro Compounds. Crystal and Molecular
Structure of Sodium p-nitrobenzoate Trihydrate.
- Grabowski, S.J., Krygowski, T.M., Chem. Phys. Lett. 151, 425 - 427, 1988,
Atom - atom potential calculations on two mechanisms for proton transfer in carboxylic acid dimers.
- Krawiec M., Krygowski T. M. & Zakrzewski A., Acta Cryst., C45, 345,
1989. Structure of phenacyl phenyl sulfone.
- Grabowski S. J. & Krygowski T. M., Croatica Chemica Acta, 62, 485,
1989. Effect of the orientational on the observed geometry of carboxylic
group in dimers of carboxylic acids in crystalline state.
- Krygowski T. M. & Maurin J., J.Chem.Soc. Perkin Trans II,) 695, 1989.
Crystallographic studies off intra and inter-molecular interactions.
Crystal and molecular structure of N,N-dimethyl-p-nitro-3,5-xylidine.
Structural evidence against the classical through-resonance concept
in p-nitroaniline and derivatives.
- Gdaniec M., Turowska-Tyrk I. & Krygowski T. M., J. Chem. Soc. Perkin
Trans II.), 613, 1989. Crystal and molecular structure of pyrylium salts.
Part 1. crystal and molecular structure of 2,6-diphenyl-4(2-phenylpropan-2-yl)pyrylium
perchlorate and aromaticity of the pyrylium ring..
- Häfelinger G., Regelman C. U., Krygowski T. M. & Wozniak K.,
J. Comput. Chem. (.10, 329, 1989. Basis set Dependence, precision and
Accuracy of full ab initio gradient optimization of molecular structures
of nonstrained hydrocarbons. I.CC bond lengths.
- Krygowski T. M., Woźniak K., Bock Ch. W., George P., J. Chem. Res.
(s), 396, 1989. Correlation of Hammmett Substituent constants with charge
densities calculated using the 6-31G (5D) basis set.
- Woźniak K., Krygowski T. M., J. Mol. Struct., 193, 81, 1989. Crystallographic
studies and physicochemical properties of π-electron systems. Part
XVIII. Crystal and molecular structure of N-n-propyl-quinioxaline 7,
7', 8, 8'-tetracyano-p- quinodimethane: estimation of charge at TCNQ
by the HOSE model.
- Wrona P. K., Krygowski T. M. and Zielkowska U., Z. Natuforsch. 44b,
673, 1989 , Empirical Parameters of Lewis Basicity of Binary Solvent
Mixtures. Part II Mixtures with water..
- Krygowski T. M. & Turowska-Tyrk I., Collect. Czech. Chem. Commun.
55, 165, 1990. Crystal and molecular structure of potassium p-nitrophenolate
monochydrate: substituent effect on geometry of the ring in p-substituted
nitrobenzene derivatives.
- Krygowski T. M. & Turowska-Tyrk I., Pol. J. Chem. 64, 89, 1990. Crystallographic
studies and physicochemical properties of π-electron compounds. Part
XXII. Dependence of the reliability and predictive power of the Δ
vs α. Plot for monosubstituted benzene derivatives on the quality
of data sets.
- Krygowski T. M., Anulewicz R., Daniluk T., & Drapała T., Struct.
chem. 1, 371, 1990, Crystallographic studies on sterically affected
chemical species. Part 1. crystal and molecular structure of 2-carboxy-2'-methoxy-biphenyl.
Definition of repulsive deformation parameters and angular consequences
in geometry of systems with sterically interacting substituents.
- Grabowski S., Krygowski T. M., Häfelinger G., Ritter G., Acta
Cryst, C46, 428, 1990. Crystallographic Studies and Physicochemical
Properties of π-Electron Compounds. XVII. the structure of p-nitrophenylacetic
acid.
- Wozniak K., Krygowski T. M., Kariuki B. & Jones W., Acta Cryst.C46,
1946, 1990, Structure of 2,3-dimethylquinoxaline.
- Woźniak K., Krygowski T. M., Kariuki B., Jones W., Grech E., J. Mol.
Struct. 240, 119, 1990, Crystallographic studies of intra- and inter-molecular
interactions. Part IV. Molecular and crystal structure of phthalazine
semitetrafluoroborate: intramolecular changes in geometry as a conseqience
of H-bonding.
- Woźniak K., Krygowski T. M., Kariuki B., Jones W., Grech E., J.Mol.Struc.
240, 111, 1990 Crystallographic Studies on Sterically Affected Chemical
Species. Part II. Molecular and crystal structure of 1,8-bis (dimethylamino)-naphthalene
tetrafluoroborate. Analysis of distorsion of geometry in the aromatic
part due to intramolecular hydrogen bonding.
- Anulewicz R., Krygowski T.M., & Pniewska B., Acta Cryst. C46, 2121,
1990, Crystallographic Studies and Physicochemical Properties of π-Electron
Systems. Part 21. Structure of N,N'-bis (p-chlorophenyl) formamidine.
- Krygowski T. M., Kalinowski M. K., Turowska-Tyrk I., Hiberty P. C.
Milart P, Silvestro A., Topsom R. D., Daehne S., Struct.Chem. 2, 71,
1991. Crystallographic Studies of Intra and Intermolecular Interactions.
Part 4. A Comparative Study of the Effect of Through- Resonance on the
Geometry of p-Nitro and p-Nitrosophenolate Anions.
- Krygowski T. M., Anulewicz R., Pniewska B.,Milart P., J. Phys. Org.
Chem. 4, 121, 1991. Crystal and Molecular Structure of Pyrylium Salts.
IV. Crystal and Molecular Structure of 2,6-Diphenyl-4(4-carboxyphenyl)-Pyrylium
Perchlorate. Interrelations between structural parameters due to substituent
effects.
- Turowska-Tyrk I., Krygowski T. M., Milart P., Butt G., Topsom R.D.,
J. Mol. Struct. 245, 289 1991. Crystal and molecular structure of pyrylium
salts. Part II. Crystal and molecular structure of 2,6-diphenyl-4 (4-nitrophenyl)-pyrylium
perchlorate nitromethane solvate, electronegativity effect on geometry
of the cation.
- Anulewicz R., Krygowski T. M., Raczynska E., Laurence Ch., J. Phys.
Org. Chem. 4, 331, 1991. Crystallographic studies of inter- and intramolecular
interactions. Part VI. Crystal and molecular structure of N,N'-dimethyl-N'-
phenylsulphonylformamidine. Equalization of CN bond lengths in the amidine
fragment as a result of substituent effects due to push-pull.
- Anulewicz R., Krygowski T. M., Jaroszewska-Manaj J., Pniewska B.,
Pol. J. Chem. 65, 465, 1991. Crystallographic studies and physicochemical
properties of π-electron systems. Part XX. Crystal and molecular
structure of N,'-di-(p-bromophenyl)- formamidine.
- Woźniak K,. Krygowski T. M., Kariuki B., Jones W., J. Mol. Struct.
248, 331, 1991. Crystallographic studies of intra- and intermolecular
interactions. Part VII. Crystal and molecular structure of the complex
of acridine-pentachloro phenol: H-bonding effect on the geometry of
the pentachloropenol moiety.
- Woźniak K., Krygowski T. M., Filipek S., Acta Cryst. C47, 1326 1991.
Structure of 6,7-Dimethyl-2,3-diphenlquinoxaline.
- Krawiec M. Krygowski T. M., J.Mol.Struct. 246, 113, 1991. Crystallographic
stuies of intra- and intermolecular interactions. Part III. Refinement
of the crystal and molecular structure of N,N-dimethyl-m-nitroaniline:
additivity of substituent effects on geometrical paramaters of the ring.
- Krygowski T. M., Anulewicz R., Raczyńska E., Laurence Ch., J. Phys.
Org. Chem. 4, 689 1991. Structural studies of 1,3-di(N,N-dimethyl-formamidyl)-2-cyanoguanidine.
The case of a strongly Lewis Basic nitrogen atom in the cyano group.
VIII. Crystallographic studies of intra- and intermolecular interactions.
- Wrona P. K., Krygowski T. M., Galus Z., J.Phys.Org.Chem. 4. 439 1991.
Correlation between empirical Lewis acid-basesolvent parameters and
the thermodynamic parameters of ion solvation. Part II. Acidity parameters
of cations and basicity parameters of anions.
- Turowska - Tyrk, I., Krygowski, T.M., Milart, P., J. Mol. Struct. 263, 235, 1991. Crystal and molecular
structure of pyrylium salts. Part III Crystal and molecular structure of 2,6-diphenyl
-4 (4-N, N-dimethylaminophenyl)-pyrylium perchlorate: a case of a long distance
substituent effect on geometry of the oyrylium ring.
- Oonishi I., Ohshima S.,Fujisawa S., Aoki J., Ohashi Y. Krygowski
T. M., J.Mol.Struct. 265, 283, 1992. Conformation of condensed polycyclic
aromatic hydrocarbons. Part III. The molecular an crystal structure
of tribenzo [a,h,rst]phenanthra[1,2,10-cde]pentaphene: a simple analysis
of the in-plane distorsions due to overcrowding.
- Krygowski T. M., J. Chim. Phys. 89, 1609, 1992. Crystallo- graphic
studies of inter and intamolecular interactions affecting aromatic character
of π-electron systems.
- Turowska-Tyrk I., Anulewicz R., Krygowski T. M., Pniewska B, Milart
P., Pol. J. Chem. 66, 1831, 1992. Crystal and molecular structure of
pyrylium salts. Part V. Crystal and molecular structure of 2,6-diphenyl4
(4-hydroxyphenyl)- and 2,6-diphenyl-4(4-methylphenyl)-pyrylium perchlorates.
- Häfelinger G., Krygowski T. M., Kuske F., Z. Naturforsch. 47b,
1480, 1992. Ab initio 3-21G calculations of push-pull interactins of
substituents at imino-nitrogen in formamidines. Non-equivalence of NO-bonds
of the nitro-substituents.
- Woźniak K., Krygowski T. M. Grech E., J.Mol.Struct. 274, 145, 1992.
Disordered H-bonding in phthalazine 1-methyl-5-tetra- zolethione.
- Boese R., Blaser D., Nussbaummer M., Krygowski T. M., Struct. Chem.
3, 363, 1992. Low temperature crystal and molecular structure of nitrobenzene.
- Krygowski T. M., J. Inf. Comput. Sci., 33, 70, 1993. Crystallo- graphic
studies of inter- and intramolecular interactions reflected in aromatic
character of π-electron systems.
- Woźniak K., Krygowski T. M., Grech E., Kołodziejski W., Klinowski
J., J. Phys. Chem.), 97, 1862, 1993. Hydrogen bonding and the structural
substituted quinoxaline: solid-state NMR and single-crystal X-ray diffraction
studies.
- Anulewicz R., Krygowski T. M., Gawinecki R., Rasała D., J. Phys.
Org. Chem., 6, 257, 1993. Crystal and molecular structure of N-nitro-N-methyl-p-nitroaniline
analysis of substituent effects on the ring geometry and estimation
of the Hammett substituent constant for the N-methylnitramino group.
- Woźniak K., Krygowski T. M., Gawinecki R., Pol. J. Chem. 67, 1175,
1993.Crystal and molecular structure of N-(4'-dimethyl aminobenzylidene-amino)-3-nitropyridinium
perchlorate. Aromaticity of phenylic and pyridinium rings studied by
analysis of geometry.
- Woźniak K., Krygowski T. M., Pol. J. Chem. 67, 1667, 1993. Structural
features of lithium-oxygen bond retrieved for ionic crystals from Cambridge
Structural Database and Inorganic Structural data base".
- Kuhch N. D., Majchrzak I., Ciesielski W., Graja A., Woźniak K., Krygowski
T. M., J. Phys. I France, 1987, 1993. New sulfur-fullerite; its preparation,
structural and spectral properties.
- Woźniak K., Krygowski T. M., Grech E., Nowicka-Scheibe J., Pol. J.
Chem. 68, 768, 1994. Desymmetrization of naphthalene moiety as a result
of different substitution at peri positions.
- Dziembowska T., Szczodrowska B.,Krygowski T. M., Grabowski S. J.,
J. Phys. Org. Chem., 7, 142, 1994. Estimation of the OH...O interaction
energy in intramolecular hydrogen bonds: a comparative study.
- Woźniak K., Krygowski T. M., Grech E., Pol. J. Chem., 68, 1813, 1994.
Structural consequences of protonotion in substituted quinoxalines.
- Krygowski T. M., Anulewicz R., Pniewska B., Milart P., Bock Ch. W.,
Sawada M., Takai Y., Hanafusa T., J.Mol.Struct. 324, 251, 1994. Crystal
and molecular structure of the lithium p-nitrosophenolate dihydrate
dimer: an example of strong dependence of the (-electron cooperative
substituent effect on the hydrogen-bonding network in the crystal lattice.
- Krygowski T. M., Ciesielski A., Świrska B., Leszczyński P., Pol.
J. Chem., 68, 2097, 1994. Variation of Molecular Geometry and Aromatic
Character of chrysene and perylene in their EDA complexes. refinement
of X-ray crystal and molecular structure of chrysene and perylene.
- Krygowski T. M., Anulewicz R., Jarmula A., Bak T., Rasala D., Howard
S. T., Tetrahedron, 46, 13155, 1994. The effect of the methoxy group
on the geometry of the benzene ring supported by crystal structure studies
and ab initio calculations. Crystal and molecular structure of 4-(4-methoxy
phenyl)-2,6-diphenylpyridine and 1-methyl-4-(4-methoxy- phenyl) -2,6-diphenylpyridinium-perchlorate.
- Krygowski T. M., Anulewicz R., Milart P., Zimmermann T., J. Prakt.
Chem., 336, 1994. Crystal and molecular structure of 2,6-diphenyl-4
-carboxypyrylium perchlorate and of 5,6,7,8-tetrahydro-8-oxo- 2,6-diphenyl
-1-benzopyrylium perchlorate. A mutual correlation between structural
parameters for symmetrically substituted pyrylium rings.
- Anulewicz R., Bąk T., Cyrański M., Krygowski T. M., Rasała D., Świrska
B., Polish J. Chem., 69, 597, 1995. Substituent effect on pyridine and
benzene rings in some 4-aryl-2,6-diphenylpiridines. Crystal and molecular
structure of methyl - and fluoro derivatives.
- Krygowski T. M., Ciesielski A., J. Chem. Inf. Comput Sci., 35, 203,
1995. Aromatic character of benzene ring present in various topological
environments in benzenoid hydrocarbons. Nonequivalence of indices of
aromaticity.
- Krygowski T. M., Anulewicz R., Pniewska B., Bock C. W., Pol. J. Chem,
69, 723, 1995. Comparative study of substituent effect in para- and
meta- nitrophenolate anions. Crystal and molecular structure of sodium
m-nitrophenolate dihydrate and related ab initio calculations.
- Cyrański M., Krygowski T. M., Pol. J. Chem., 69, 1080, 1995. Structural
studies of disubstituted benzene derivatives. Part I. Factor analysis
study of the molecular geometry in para-disubstituted benzene derivatives.
- Cyranski M., Krygowski T. M., Pol. J. Chem., 69, 1088, 1995, Structural
studies of disubstituted benzene derivatives. Part II. Factor and regression
analyses of aromaticity of the ring in para-disubstituted benzene derivatives.
- Anulewicz R., Bąk T., Cyrański M., Krygowski T. M., Pawlak D., Pniewska
B., Rasała D., Gawinecki R., Acta Chem. Scand., 49, 515, 1995. Substituent
effect on the geometry of the pyridine ring in1-methyl-4-(-4-R-phenyl)-2,6-diphenylpyridinium
perchlorates.
- Krygowski T. M., Anulewicz R., Wisiorowski M., Pol. J. Chem., 69,
1579, 1995. Derivation of the Kekul( contributions from experimental
bond lengths for π-electron systems with NN nad NO nonds. Extension
of the HOSE model.
- Irle S., Krygowski T. M., Niu J.E., Schwarz W.H.E., J. Org. Chem.,
60, 6744, 1995. Substituent Effects of -NO and -NO2 Groups in Aromatic
Systems.
- Krygowski T. M., Ciesielski A., Cyrański M., Chemical Papers, 49
128, 1995. Aromatic character and energy of the five- and seven- membered
rings in derivatives of penta- and heptafulvene substituted in exocyclic
position.
- Krygowski T. M., Ciesielski A., J. Chem. Inf. Comput Sci., 35, 1001,
1995. Local aromatic character of C60 and C70 and their derivatives.
- Krygowski T. M., Cyrański M., Tetrahedron, 52, 1713,1996. Separation
of the energetic and geometric contributions to the aromaticity of -electron
carbocyclics.
- Krygowski T. M., Ciesielski A., Cyrański M., J. Mol. Struct., 374,
277, 1996. Aromatic character of the cyclopentadienyl moiety embeded
in various chemical envinronments: a statistical treatment of the structuraldata.
- Krygowski T. M., Cyrański M., Ciesielski A., Świrska B., Leszczyński
P., J. Chem. Inf. Comput. Sci, 36, 1135,1996, Separation of the Energetic
and Geometric Contributions to Aromaticity. 2. Analysis of the Aromatic
Character of Benzene Rings in Their Various Topological Enviroment in
the Benzenoid Hydrocarbons. Crystal and Molecular Structure of Coronene.
- Cyrański M., Krygowski T. M., J. Chem. Inf. Comput. Sci., 36, 1142,
1996. Separation of the Energetic and Geometric Contributions to Aromatici-ty.
Part 3. Analysis of the Aromatic Character of Benzene Rings in Their
Various Topological and Chemical Enviroments in the Substituted Benzene
Derivatives.
- Krygowski T. M., Cyrański M., Wisiorowski M., Pol.J.Chem., 70, 1351,
1996. Through Space Substituent Effects Shedding Light on Aromaticity.
Energetic and Geometric Contributions to Aromaticity.
- Krygowski T. M., Cyrański M., Tetrahedron, 52, 10255, 1996 Separation
of the Energetic and geometric Contributions to the Aromaticity. Part
.IV. A General Model for the π-Electron Systems.
- Krygowski T. M., Wisiorowski M., Nakata K., Fujio M., Tsuno Y., Bull.
Chem. Soc. Jpn., 69, 2275, 1996. Changes of the Aromatic Character of
the Ring in Exocyclically Substituted Derivatives of Benzylic Cation
as a Result of Varying Charge at the exo-Carbon Atom.
- Howard S. T., Krygowski T. M., Glówka M. L., Tetrahedron, 52, 11379,
1996.The Imbalanced Kekule Structure Contributions in the Ring in 1,3,5-trisubstituted
Benzene Derivatives: Low Temperature X-Ray Study on 1,3,5-trimethoxybenzene,
and ab initio Calculations on 1,3,5-triformylo-benzene and trimethoxy-benzene
and the Related Di-substituted Systems.
- Krygowski T. M., Pawlak D., Anulewicz R., Rasala D., Gawinecki R.,
Hafelinger G., Homsi M. N., Kuske F. K. H., Acta Chem.Scand., 50, 808,
1996. Resonance Interactions in the N-Nitramino Group. X-Ray Study of
α-, β- and γ-Nitraminopyridines.
- Cyrański M., Krygowski T. M., Tetrahedron, .52, 13795, 1996. Separation
of the energetic and Geometric Contributions to the Aromaticity of π-Electron
Carbocyclics.Part.V. Analysis of the Aromatic Character of Aza-Analogues
of benzenoid Hydrocarbons.
- Krygowski T. M., Anulewicz R., Hiberty P. C., J. Org. Chem., 61,
8533, 1996. Structural Consequences of the Substituent Nonsymmetry on
the Geometry of the benzene Ring. Analysis of the Molecular Geometry
of Diazo-Derivatives of Benzene.
- Albert K., Hafelinger G., Milart P., Krygowski T. M., Kuhn T., Pusch
M., Strohschein S., Z.Naturforsch. 52b, 263, 1997. Conformational Aspects
of the p-Nitrosophenolate Anion and Related Compounds: NMR Study and
ab initio 6-31G Optimizations of Molecular structures.
- Krygowski T. M., Howard S. T., Martynowski D., Główka M. L., J.
Phys.Org.Chem., 10, 125, 1997. Imbalance of the Kekule Structures in
2,4,6-Trimetoxy-S-Triazine.
- Krygowski T. M., Cyrański M., Nakata K., Fujio M., Tsuno Y., Tetrahedron,
53, 11383, 1997. Separation of the Energetic and Geometric Contribitions
to Aromaticity. Part VI. Changes of the Aromatic Character of the Rings
in Naphthalene, Antracene, Phenanthrene and Pyrene Derivatives Induced
by the Charged Substituent CH2+..
- Krygowski T. M., Wisiorowski M., Howard S. T., Stolarczyk L. Z.,
Tetrahedron 53, 13027, 1997. Angular-Group-Induced Bond Alternation.
I. Origin of the Effect from Ab-Initio Calculations.
- Krygowski T. M., Chem. Listy, 91, 616, 1997. Angular Group Induced
Bond Alternation (AGIBA) - A New Type of the Substituent Effect.
- Howard S. T. and Krygowski T. M., Can. J. Chem., 75, 1174, 1997.
Benzenoid Hydrocarbon Aromaticity in Terms of Charge Density Descriptors.
- Woźniak K., Krygowski T. M., Pawlak D., Kołodziejski W. and Grech
E., J. Phys. Org. Chem., 10, 814, 1997.Solid State NMR and X-Ray Diffraction
Studies of Ionic Complex of 1,8-bis (dimethylamino) naphthalene (DMAN)
with Picrolic Acid.
- Anulewicz R., Wawer I., Krygowski T. M., Mannele F. and Limbach H.-H.,
J. Am. Chem. Soc. 119, 12223, 1997. Combined X-ray diffraction and 15N
CPMAS NMR study of molecular structure and proton order/disorder phenomena
in cyclic N,N'-bisaryloformamidine dimers.
- Krygowski T. M., Woźniak K., Anulewicz R., Pawlak D., Kołodziejski
W., Grech E. and Szady A., J. Phys. Chem., 101, 9399, 1997. Through-Resonance
Assisted Ionic Hydrogen Bonding in 5-Nitro-N-salicydeneethylamine.
- Cyranski M. K., Krygowski T. M., Wisiorowski M.,.van Eikema Hommes
N. J. R and Schleyer P. v. R., Angew. Chem. Int. Ed., 37 , 177, 1998.
Global and Local Aromaticity in Porphyrines: An Analysis Based on Molecular
Geometries and Nucleus-Independent Chemical Shifts.
- Cyranski M. K., Krygowski T. M., Wisiorowski M., Eikema Hommes N.
J. R.van and Schleyer P. v. R., Angew. Chem. 110, 187, 1998. Globale
und lokale Aromatizitat in Porphyrinrn: eine Analyse anhand von Molekulgeometrien
und kerneunabhangigen chemischen Verschiebungen.
- Howard S. T., Krygowski T. M., Ciesielski A. and Wisiorowski M.,
Tetrahedron, 54, 3533, 1998. Angular Group Induced Bond Alternation
II The Magnitude and the Nature of the Effect and its Application to
Polynuclear Benzenoid Systems.
- Anulewicz R., Krygowski T. M. and Jagodziński T., Pol. J. Chem.,
72, 439, 1998. The Crystal and Molecular Structure of Cyclic Thioamide
β-Diketone Derivatives. Intramolecular H-Bonding and the Problem
of Quasiaromaticity.
- Krygowski T. M., Cyrański M., Nakata K., Fujio M., Tsuno Y., Tetrahedron.
54, 3303, 1998. Separation of the Energetic and Geometric Contribitions
to Aromaticity.Part VII. Changes of the Aromatic Character of the Rings
in Naphthalene Induced by the Charged Substituent CH2+. The Dependence
on the Position of the Substituent, Torsion Angle and the Exocyclic
Bond Length Variation.
- Jarmuła A., Anulewicz R., Leś A., Cyrański M. K., Adamowicz L., Bretner
M., Felczak K., Kulikowski T., Krygowski T. M. and. Rode W., Biochim.
Biophys. Acta, 1382, 277, 1998. Crystal Structure of 5-fluoro-dUrd and
its 2 and/or 4-thio analogues: models of substituted dUMP pyrimidine
ring interacting with thymildylate synthase.
- Cyranski M.K., Krygowski T. M. and Bird C.V., Tetrahedron, 54, 9711,
1998. Separation of the Energetic and Geometric Contribitions to Aromaticity,
Part VIII Changes in Aromaticity and the Evidence for the Multidimensionality
of of the Aromatic Character of Benzene ring in Para- and Meta-Cyclophanes.
- Jarmuła A., Cyrański M. K., Leś A., Krygowski T. M., Rode W., Pol.
J. Chem., 72, 1958, 1998. Interaction of Thymidylate Synthase with 5-Fluoro-
Substituted DUMP Analogues in View of the Pyrimidine Ring Structure.
- Krygowski T. M., Anulewicz R., Cyrański M. K., Puchała A. and Rasała
D., Tetrahedron, 54, 12295, 1998. Separation of the Energetic and Geometric
Contribitions to Aromaticity. Part IX. Aromaticity of Pyrazoles in Dependence
on the Kind of Substitution.
- Krygowski T. M., Piętka E., Anulewicz R., Cyrański M. K. and Nowacki
J., Tetrahedron, 54, 12289, 1998. Angular Group Induced Bond Alternation.
Part III. The Case of o-Dimethoxy Derivatives. Crystal and Molecular
Structure of 3,4-dimethoxybenzaldehyde(4-metylphenyl)sulphonyl]hydrazone.
- Katritzky A. R., Karelson M., Sild S., Krygowski T. M. and Jug K.,
J. Org. Chem., 63, 5228, 1998. Aromaticity as a Quantitative Concept:
Part 7 Aromaticity Reaffirmed as a Multidimensional Characteristic.
- Krygowski T. M., Grabowski S. J., Konarski J., Tetrahedron, 54, 11311,
1998,. Water Molecules as a Gluing Factor in Organic Crystals and Biological
Systems.
- Cyranski, M.K. and Krygowski, T.M., Tetrahedron, , 54, 14 919, 1998.
Separation of the Energetic and Geometric Contribitions to Aromaticity.
Part X. The Case of Benzene Rings in Fused Polycyclic Benzenoid Hydrocarbons.
- Madura I. D., Krygowski, T. M. and Cyranski M. K., Tetrahedron, 54,
14 913, 1998. Structural Aspects of the Aromaticity of Cyclic pi-electron
systems with BN Bonds.
- 172. Grabowski, S. J. and Krygowski, T. M., Tetrahedron, 54, 5683 - 5694, 1998,
Estimation of the Proton Position and the Energy of O-H�O
Bridges in Crystals from X-Ray Diffraction Data.
- Micuch, P., Fisera, L., Cyranski M.K. and Krygowski, T.M., Tetrahedron
Letters, 167, 1999. Reversal of Stereoselectivity of Mg(II) Catalysed
1,3-Dipolar Cycloaddition. Acceleration of Cycloaddition by Microwave
Irradiation.
- Krygowski, T.M., Stępień, B., Anulewicz, - Ostrowska, R., Dziembowska,
T., Tetrahedron, , 55, 5457, 1999. π - Electron Delocalisation in
the Spacer of the )-H...N Bridge in Schiff Bases. Crystal and Molecular
Structure of 3,5-dimethoxy-2[(phenylimino)methyl]methyl]phenol and 4-methoxy[(phenylimino)
methyl]phenol.
- Cyranski, M.K. and Krygowski, T.M., Tetrahedron, 55, 6205, 1999.
Two Sources of the Decrease of Aromaticity: Bond Length Alternantion
and Bond Elongation. Part 1. An Analysis Based on Benzene Ring Deformations
- Cyranski, M.K. and Krygowski, T.M., Tetrahedron, 55,11 143, 1999.
Two Sources of the Decrease of Aromaticity: Bond Length Alternantion
and Bond Elongation. Part 2. An Analysis Based on Geometry of the Singlet
and Triplet States of 4nπ Annulenes.
- Grabowski, S.J. and Krygowski, T.M., Chem. Phys. Lett., 305, 247,
1999. The Proton transfer path for C=O...H-O Systems Modelled from Crystal
Data.
- Anulewicz - Ostrowska R., Piętka, E., Krygowski, T.M., Micuch, P.
and Fisera L., Pol. J. Chem., 40, 167, 1999. Crystal and Molecular Structure
of 3-(2,4,6-trimethyl)8-phenyl-oxo-1,7-dioxa-2-azaspiro[4,4]non-2-ene.
- Anulewicz - Ostrowska R., Krygowski, T.M., Cyranski, M.K., Matuszewska
M.P., Pol. J. Chem., 73, 1895, 1999. Crystal and Molecular Structure
of 1,3,5-trimethoxy-2,4,6-trinitrobenzene. Mesomeric Effects for Out-of-plane
Twisted Substituents.
- Krygowski, T.M., Stępień, B., Anulewicz - Ostrowska, R., Cyrański,
M.K., Grabowski, S.J., Rozwadowski, Z. And Dziembowska, T., Coll. Czech.
Chem. Commun, 64, 1797, 1999. Crystal and Molecular Structure of N-(3,5-dichloro-2-hydroxybenzylidene)
- and N-(2-hydroxy-3-methoxybenzylidene)aniline oxides. Delocalization
in the spacer of the intramolecular H-bond and the problem of quasiaromaticity.
- Slezak, R., Krutosikova, A., Cyranski, M.K., Krygowski, T.M. Pol.
J. Chem., 74, 207, 2000. Furo[2,3-b]pyrrole Derivatives. Syntheses and
Reactions in the Furan and Pyrrole Ring.
- Krygowski, T.M., Pindelska, E., Cyrański, M.K., Grabowski, S.J.,
Tetrahedron, 56, 8715, 2000. Angular Group Induced Bond Alternation
(AGIBA) Part 4. Does the Effect Operate in the Systems with Alternated
Bonds?
- Grabowski, S.J., Krygowski, T.M., Stępień, B., Reaction pathway of
proton transfer from the neautral to zwitterionic forms of amino acids.
Support for a water molecule-mediated mechanism. J. Phys. Org. Chem.,
13, 740, 2000.
- Kolehmainen, E., Ośmiałowski, B., Krygowski, T.M., Kauppinen, R.,
Nissinen, M., Gawinecki, R., J.Chem. Soc. Perkin 2, 2000, 1259. Substituent
and temperature controlled tautomerism: multinuclear magnetic resonance,
X-ray,and theoretical studies on 2-phenacylquinolines,
- Micuch, P. and Fisera L., Cyrański, M. K., Krygowski, T.M., Krajcik,
J., Tetrahedron, 56, 5465, 2000. Reversal of diastereoselectivity of
nitrile oxide 1,3-dipolarcycloaddition by Mg(II). Acceleration of cycloaddition
by microwave irradiation.
- Cyrański, M.K., Stepien, B., Krygowski, T.M., Tetrahedron, 56, 5465,
2000. Global and local aromaticity of linear and angular polyacenes.
- Krygowski T. M., Pindelska E., Anulewicz - Ostrowska R., Grabowski
S. J., Dubis A. T., J. Phys. Org. Chem., 14, 349, 2001. Angular Group-induced
bond alternation (AGIBA), Part 5. Conformational dependence and additivity
of the effect: structural studies of 3,5-dimethoxybenzaldehyde derivatives
and related systems.
- Stępień, B. T., Cyrański, M. K., Krygowski, T. M., Chem. Phys. Lett.
350, 537, 2001. Aromaticity strongly affected by substituents in fulvene
and heptafulvene as a new method of estimating the resonance effect.
- Temeriusz A., Anulewicz R., Wawer I., Krygowski T. M., Piekarska -
Bartoszewicz B., Rowinska M., Carbohydrate Res., 334, 71- 79, 2001.
Crystal structure and solid state 13C NMR analysis of N-(methyl 3,4,6-tri-O-acetyl-
, and -D-glucopiranosid-2-yl)oxamide derivative of p-chloroaniline,
N,N-diethyl-amine, N-methylaniline and N-ethylaniline.
- Witkowski S., Anulewicz - Ostrowska R., Krygowski T. M., Pol. J. Chem.,
75, 883, 2001. Water molecules as a gluing factor in organic crystals.
Part 2. The crystal and molecular structure of 6-acetoxy-2,5,7,8-tetramethylchroman-2-carbocyclic
acid monohydrate.
- Krygowski T. M., Cyrański M. K., Anulewicz - Ostrowska R., Pol. J.
Chem., 75, 000, 2001. Guanidinium cation - an acyclic analogue of benzene?
- Pindelska E., Krygowski T. M., Anulewicz - Ostrowska R., Cyrański
M.K., Nowacki J., J. Phys. Org. Chem., 14, 764, 2001. Angular Group-Induced
Bond Alternation (AGIBA), Part 6, Competition between the AGIBA and
Through Resonance Effects.
- Krygowski T. M., Lambert J. B., J. Phys. Org. Chem., 14, 727, 2001.
Editorial to the special issue dedicated to Dr John Shorter on the occasion
of his 75th, birthday.
- Cyrański M. K., Krygowski T. M., Krutosikova A., Slezak R., Tetrahedron,
57, 8867, 2001. Aromaticity of Dihetero Analogues of Pentalene Dianion.
X-ray and ab-initio Studies of Eight Methyl Furo[3,2-b]pyrrole-5-carboxylate
Derivatives and Five Methyl Furo[2,3-b]pyrrole-5-carboxylate Derivatives.
- Krygowski T. M., Pindelska E., Pol. J. Chem., 76, 325, 2002. Angular
Group-Induced Bond Alternation (AGIBA), Part VII. The Case of a Branched
substituent - the carboxylic group.
- Krygowski T. M., Grabowski S. J., Anulewicz - Ostrowska R., Izdebski
J., Fiertek D., Pol. J. Chem., 76, 129, 2002. An empirical estimation
of the interactions H+...Cl-. The crystal and molecular structure of
the 1-methyl-2-tertbutyloamino-4-isopropyl-5(4H)-imidazolone hydrochloride.
- Cyrański, M. K., Krygowski, T. M., Katritzky A. R., Schleyer, P. v.
R., J. Org. Chem., 67, 1333, 2002.To What Extent Can Aromaticity Be
Defined Uniquely?
- Ośmiałowski, B., Kolehmainen, E., Nissinen, M., Krygowski, T. M.,
Gawinecki, R., J. Org. Chem., 67, 3339, 2002.(1Z,3Z)-1,4-Di(pyridin-2-yl)buta-1,3-diene-2,3-diol:
The Planar Highly Conjugated Symmetrical Enediol with Multiple Intramolecular
Hydrogen Bonds.
- Krygowski, T. M., Pindelska, E., Cyrański, M. K., Haefelinger, G.,
Chem. Phys. Lett. 359, 158 - 62, 2002, Planarization of 1,3,5,7-cyclooctatetraene
as a result of a partial rehybridization at carbon atoms: an MP2/6-31G*
and B3LYP/6-311G** study.
- Krygowski,
T. M., Pindelska, E., Anulewicz - Ostrowska, R., Nowacki, J., Pol. J.
Chem., 2002, 76, 1249 -54. Angular Group-Induced Bond Alternation
(AGIBA), Part VIII Crystal and Molecular Structure of
2,3,6,7-tetrahydro-1H,5H-pirydo[3,2,1-ij]quinoline-9-carbaldehyde(E,E)-azine.
A Competition Between the AGIBA and the Through Resonance Effects.
- Stępień, B. T., Krygowski, T. M. and Cyrański, M. K., J. Org. Chem.,
67, 5987 - 5992, 2002.How Far Can Cyclic -Electron Delocalization Be
Modified in Exocyclically Substituted Fulvenes?
- Krygowski T. M., Pindelska E., Cyrański M. K., Nowacki J., Int. Electr.
J. Mol. Des., 1, 593 - 602, 2002, "Angular Group Induced Bond Alternation
(AGIBA) Part IX. Interactions with the Pirimidine Ring".
- Bodwell G. J. , Bridson J. N., Cyrański M. K., Kennedy J. W. J., Krygowski
T. M., Mannion M. R., Miller D. O., Nonplanar Aromatic Compounds. 8.
Synthesis, Crystal Structures and Aromaticity Investigations of the
1,n-Dioxa[n] (2,7) pyrenophanes. How does Bending Affect the "Cyclic
pi-electron Delocalization of the Pyrene System?" J. Org. Chem, 68,
2089 - 2098, 2003.
- Stępień, B. T., Krygowski, T. M., Cyrański, M. K., J. Phys. Org. Chem.
16, 426 - 430, 2003, "Variation of the -Electron Delocalisation in Exocyclically
Substituted Heptafulvene Derivatives"
- Jaworski, J.S., Krygowski T.M., Pol. J.Chem., 77. 221 - 225, 2003,
Free Energy Contribution to the Specific Solvatation of Anions. A Comparison
of "Pure" Acidity Solvent Scales.
- Cyrański, M. K., Schleyer, P. v. R., Krygowski, T. M., Jiao, H., Hohlneicher,
G., Tetrahedron, 59, 1657 - 65, 2003. Facts and artifacts about aromatic
stability estimation.
- Cyrański, M.K., Gilski, M., Jaskólski, M., Krygowski, T. M., J. Org.
Chem., 68, 8607 - 8613, 2003, On the Aromatic Character of the Heterocyclic
Bases of DNA and RNA.
- Krygowski, T.M., Cyrański, M.K., Phys.Chem. Chem. Phys. 2004, 6, 249 - 55, , Two faces of the structural aspects of aromaticity.
- Krygowski, T.M., Grabowski, S.J., Chem. Phys. Letters, 2004, 389, 51 -
57,. Where the two carbon atoms touch in the triple bond in disubstituted
acetylenes: the AIM analysis.
- Stępień, B.T., Krygowski, T. M., Cyrański, M. K., Młochowski, J.,
Orioli, P.-L., Abbate, F., ARKIVOC, 2004, 185 - 201. How far is the p
electron delocalisation of the phenenthrene moiety modfied in the
aza-analogues and their N-oxides.
- Krygowski, T.M., Cyrański, M. K., Sung, D. D., Stępień, B. T., J. Phys.
Org. Chem., 2004, 17, 699 - 706. Solvolysis of aromatic benzoyl chlorides:
how is p - electron stabilisation of the aromatic acyl chlorides and acylium
cations related to p-electron delocalization?
- Szatyłowicz, H., Krygowski, T.M., Pol. J. Chem., 2004, 78, 1719 1731.
Molecular Geometry as a Source of Chemical Information. Part I How H-Bonding
Modifies Molecular Structure in the Vicinity of Hydrogen Donating Group. The
Case of Phenol Derivatives Interacting with Nitrogen and Oxygen Bases
- Krygowski, T.M., Ejsmont, K., Stepien, M. K., Poater, J., Sola M., J.
Org. Chem., 2004, 69, 6634 - 40. On the relation between the substituent
effect and aromaticity.
- Krygowski, T. M., Zachara, J. E., Sztyłowicz H., J. Org. Chem., 2004,
69, 7038 - 43. Molecular Geometry as a Source of Chemical Information. Part
III. How H - bonding Affects Aromaticity of the Ring in the case of Phenol
and Para-nitrophenol Complexes - a B3LYP/6-311+G** Study.
- Krygowski, T. M., Szatyłowicz H., Zachara, J.E., J. Chem. Inf. Comput.
Sci., 2004, 44, 2077 - 82. Molecular Geometry as a Source of Chemical
Information. Part IV. How the H-bonding affects aromaticity of the ring in
variousely substituted phenol complexes with bases.
- Krygowski, T. M., Stępień, B. T., Pol. J. Chem., 2004, 68, 2213 - 17.
Changes in Aromaticity in the Ring of Monosubstituted Benzene Derivatives.
- Grabowski, S.J.; Walczak, M.; Krygowski, T.M., Chem. Phys. Lett., 2004,
400, 362 - 67, The substituent effect in ethylenes and acetylenes - AIM
analysis
- Krygowski, T. M., Zachara, J.E., Szatyłowicz H., J. Phys. Org. Chem.,
2005, 18, 110 - 114, Molecular Geometry as a Source of Chemical Information.
Part II An Attempt to estimate the H-bond strength - the case of
p-nitrophenol complexes with bases.
- Krygowski, T. M., Zachara, J.E., Theor. Chem. Acc. 2005, 114, 229 - 234.
How -p-electron delocalisation reflects replacement of H+
with Li+ in variously substituted malonaldehydes
- Krygowski, T. M., Stępień, B. T., Cyrański, M. K., Int. J. Mol. Sci. 2005, 6, 45. How the Substituent Effect Influences p - electron Delocalisation in the ring of Reactants in the Reaction Defining the Hammett Substituent Constants sm and sp..
- Krygowski, T. M., Szatyłowicz, H. and Zachara J. E., J. Chem. Inf. Mod. 2005, 45, 652. Molecular Geometry as a Source of Chemical Information. Part V. Substituent effect on the position of proton transfer in para-substituted phenol complexes with flouride - a B3LYP/6-311+G** Study.
- Krygowski, T. M., Int. J. Mol. Sci. 2005, 6, 1. Guest Editorial:Special Issue dedicated to Professor Marvin Charton - Correlation Analyst Par Excellence.
- Raczyńska, E.D., Krygowski, T.M., Zachara, J.E., Omiałowski B., Gawinecki R., J. Phys. Org. Chem., 2005, 18, 892. Tautomeric equilibria, H-bonding and pi-electron delocalization on o-nitrosophenol. A B3LYP/6-311+G(2df,2p)study.
- Krygowski, T. M., J. Phys. Org. Chem., 2005, 18, 683, Editorial,.
- Desystnyk, O., Pszczółkowski, L., Thorwirth, S., Krygowski, T. M., Kisiel, Z., Phys.Chem.Chem.Phys., 2005, 7, 1708. The Rotational Spectra, Electric Dipole Moments and Molecular Structures of Anisole and Benzaldehyde.
- Krygowski, T.M.; Zachara J.E. Moszyński, R., J. Chem. Inf. Mod. 2005, 45, 1837, Theoretical Study of Changes in pi-Electron Delocalization in the analogues of ortho-Hydroxy Schiff Base when Proton is replaced by Li+ and BeH+.
- Krygowski, T. M.; Szatyłowicz, H.; Zachara, J.E. J. Org. Chem., 2005, 70, 8859 - 65. How H-Bonding Modifies Molecular Structure and pi-Electron Delocalization in the ring of Pyridine/Pyridinium Derivatives involved in H-bond Complexation.
- Krygowski, T. M., Stepien, B.T., Cyranski, M.K., Ejsmont, K., J. Phys. Org. Chem., 2005, 18, 886 - 91.Relation between resonance energy and substituent resonance effect in p-phenols.
- Omiałowski B.; Raczyńska E.D.; Krygowski T.M. J. Org. Chem. 2006, 71, 3727 - 36. Tautomeric Equilibria and pi-electron Delocalization for some Monohydroxyarenes - Quantum Chemical Studies.
- Krygowski, T. M.; Szatyłowicz H. J. Phys. Chem. A. 2006, 116, 7232 -36. Varying Electronegativity of OH/O- Groups Depending on the Nature and Strength of H-bonding in Phenol/Phenolate involved in H-bond Complexation
- Ciesielski, A.; Cyrański, M. K., Krygowski, T. M., Fowler, P. W.; Lillington, M., J. Org. Chem., 2006, 116, 6840 - 45, Super-Delocalized Valence Isomer of Coronene,
- Krygowski, T. M.; Zachara J. E., Omiałowski, B.; Gawinecki, R., J. Org. Chem., 2006, 116, 7678 - 82, Topology Driven Physicochemical Properties of pi-electron Systems. Part 1. Does the Clar Rule Work in Cyclic pi-electron Systems with Intramolecular Hydrogen or Lithium Bonds?
- Szatyłowicz, H. Krygowski, T. M., J. Phys. Chem. A 2006, 110. 7232 - 36, Varying Electronegativity of OH/O- Groups Depending on the Nature and Strength of H-Bonding In Phenol/Phenolate Involved In H-Bond Complexation.
- Krygowski, T. M. Dobrowolski, M.A., Zborowski, K., Cyranski, M.K. , J. Phys. Org. Chem. 2006, 19, 889 - 895. Relation between the substituent effect and aromaticity. Part II. The case of meta- and para-homodisubstituted benzene derivatives.
- Szatyłowicz, H. Krygowski, T. M., Hobza P. J. Phys. Chem. A 2007, 111, 170 - 175, How the Shape of the NH2 Group Depends on the Substituent Effect and H-Bond Formation In Derivatives of Aniline.
- Cyranski M.K., Havenith, W.A., Dobrowolski, M.A., Gray, B.R., Krygowski, T.M., Fowler, P.W., Janneskens, L.W., Chem. Eur. J., 2007, 13, 2201 - 07, The phenalenyl motif: a magnetic chameleon.
- Krygowski, T.M., Palusiak, M., Plonka, A., Zachara - Horeglad, J.E., J. Phys. Org. Chem., 2007, 20, Relationship begtween substituent effect and aromaticity - Part III: naphthalene as a transmitting moiety for substituent effect.
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