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1

Sigma- and Pi-Electron Delocalization: Focus on Substituent Effects

Krygowski, Tadeusz Marek, Stȩpień, Beata Tamara

Journal:

Chemical Reviews

Year:

2005

Language:

english

File:

PDF, 956 KB

english, 2005

2

Interrelation between H-Bond and Pi-Electron Delocalization

Sobczyk, Lucjan, Grabowski, Sławomir Janusz, Krygowski, Tadeusz Marek

Journal:

Chemical Reviews

Year:

2005

Language:

english

File:

PDF, 1.07 MB

english, 2005

3

Where the two carbon atoms touch in the triple bond in disubstituted acetylenes: the AIM analysis

Tadeusz Marek Krygowski, Sławomir J. Grabowski

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 247 KB

english, 2004

4

Unusual electron density topology and intramolecular steric π–π interaction in 1,3,5,7-cyclooctatetraene

Marcin Palusiak, Tadeusz M. Krygowski

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 398 KB

english, 2009

5

Structural Aspects of Aromaticity

Krygowski, Tadeusz Marek, Cyrański, Michał Ksawery

Journal:

Chemical Reviews

Year:

2001

Language:

english

File:

PDF, 597 KB

english, 2001

6

Aromatic Character of the Benzene Ring Present in Various Topological Environments in Benzenoid Hydrocarbons. Nonequivalence of Indices of Aromaticity

Krygowski, Tadeusz Marek, Ciesielski, Arkadiusz, Bird, Clive William, Kotschy, Andras

Journal:

Journal of Chemical Information and Modeling

Year:

1995

Language:

english

File:

PDF, 805 KB

english, 1995

7

Aromaticity from the Viewpoint of Molecular Geometry: Application to Planar Systems

Krygowski, Tadeusz M., Szatylowicz, Halina, Stasyuk, Olga A., Dominikowska, Justyna, Palusiak, Marcin

Journal:

Chemical Reviews

Year:

2014

Language:

english

File:

PDF, 5.95 MB

english, 2014

8

Toward a Physical Interpretation of Substituent Effects: The Case of Fluorine and Trifluoromethyl Groups

Siodła, Tomasz, Ozimiński, Wojciech P., Hoffmann, Marcin, Koroniak, Henryk, Krygowski, Tadeusz M.

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 2.99 MB

english, 2014

9

Extent of Cyclic π-Electron Delocalization Modification in Exocyclically Substituted Fulvenes

Stȩpień, Beata T., Krygowski, Tadeusz M., Cyrański, Michał K.

Journal:

Journal of Organic Chemistry

Year:

2002

Language:

english

File:

PDF, 116 KB

english, 2002

10

Quasi-aromaticity—what does it mean?

Krygowski, Tadeusz M., Bankiewicz, Barbara, Czarnocki, Zbigniew, Palusiak, Marcin

Journal:

Year:

2015

Language:

english

File:

PDF, 988 KB

english, 2015

11

Dependence of the Substituent Effect on Solvent Properties

Szatylowicz, Halina, Jezuita, Anna, Siodła, Tomasz, Varaksin, Konstantin S., Ejsmont, Krzysztof, Madura, Izabela D., Krygowski, Tadeusz Marek

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 920 KB

english, 2018

12

How far the substituent effects in disubstituted cyclohexa-1,3-diene derivatives differ from those in bicyclo[2.2.2]octane and benzene?

Szatylowicz, Halina, Jezuita, Anna, Siodla, Tomasz, Varaksin, Konstantin S., Ejsmont, Krzysztof, Shahamirian, Mozhgan, Krygowski, Tadeusz M.

Journal:

Structural Chemistry

Year:

2018

Language:

english

File:

PDF, 1.57 MB

english, 2018

13

IMBALANCE OF THE KEKULÉ STRUCTURES IN 2,4,6-TRIMETHOXY-S-TRIAZINE

Tadeusz M. Krygowski, Sean T. Howard, Dariusz Martynowski, Marek L. Glówka

Journal:

Journal of Physical Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 56 KB

english, 1997

14

Solid-state NMR and x-ray diffraction studies of ionic complex of 1,8-bis(dimethylamino)naphthalene (DMAN) with picrolonic acid

Krzysztof Woźnaik, Tadeusz Marek Krygowski, Dorota Pawlak, Walaw Kolodziejski, Eugeniusz Grech

Journal:

Journal of Physical Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 200 KB

english, 1997

15

Globale und lokale Aromatizität in Porphyrinen: eine Analyse anhand von Molekülgeometrien und kernunabhängigen chemischen Verschiebungen

Michal K. Cyrañski, Tadeusz M. Krygowski, M. Wisiorowski, Nicolaas J. R. van Eikema Hommes, Paul von Ragué Schleyer

Journal:

Angewandte Chemie

Year:

1998

Language:

german

File:

PDF, 117 KB

german, 1998

16

Global and Local Aromaticity in Porphyrins: An Analysis Based on Molecular Geometries and Nucleus-Independent Chemical Shifts

Michatl K. Cyrañski, Tadeusz M. Krygowski, Marcin Wisiorowski, Nicolaas J. R. van Eikema Hommes, Paul von Ragué Schleyer

Journal:

Angewandte Chemie International Edition

Year:

1998

Language:

english

File:

PDF, 113 KB

english, 1998

17

Reaction pathway of proton transfer from the neutral to zwitterionic forms of amino acids. Support for a water molecule-mediated mechanism

Sławomir J. Grabowski, Tadeusz M. Krygowski, Beata Stȩpień

Journal:

Journal of Physical Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 74 KB

english, 2000

18

The Phenalenyl Motif: A Magnetic Chameleon

Michał K. Cyrański, Remco W. A. Havenith, Michał A. Dobrowolski, Benjamin R. Gray, Tadeusz M. Krygowski, Patrick W. Fowler, Leonardus W. Jenneskens

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 279 KB

english, 2007

19

Application of AIM Parameters at Ring Critical Points for Estimation of π-Electron Delocalization in Six-Membered Aromatic and Quasi-Aromatic Rings

Marcin Palusiak, Tadeusz M. Krygowski

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 340 KB

english, 2007

20

ChemInform Abstract: Separation of the Energetic and Geometric Contribution to Aromaticity. Part 10. The Case of Benzene Rings in Fused Polycyclic Benzenoid Hydrocarbons.

Michael K. Cyranski, Tadeusz M. Krygowski

Journal:

Year:

1999

File:

PDF, 25 KB

1999

21

ChemInform Abstract: Structural Aspects of the Aromaticity of Cyclic π-Electron Systems with BN Bonds.

Izabela D. Madura, Tadeusz M. Krygowski, Michael K. Cyranski

Journal:

Year:

1999

File:

PDF, 26 KB

1999

22

ChemInform Abstract: Reversal of Stereoselectivity of Mg(II) Catalyzed 1,3-Dipolar Cycloaddition. Acceleration of Cycloaddition by Microwave Irradiation.

Peter Micuch, L'ubor Fisera, Michal K. Cyranski, Tadeusz M. Krygowski

Journal:

Year:

1999

File:

PDF, 33 KB

1999

23

ChemInform Abstract: Two Sources of the Decrease of Aromaticity: Bond Length Alternation and Bond Elongation. Part 2. An Analysis Based on Geometry of the Singlet and Triplet States of 4nπ Annulenes: C4H4, C5H5+, C6H62+, C7H7-, C8H8, C9H9+.

Tadeusz M. Krygowski, Michal K. Cyranski

Journal:

Year:

2000

File:

PDF, 34 KB

2000

24

ChemInform Abstract: Substituent and Temperature Controlled Tautomerism: Multinuclear Magnetic Resonance, X-Ray, and Theoretical Studies on 2-Phenacylquinolines.

Erkki Kolehmainen, Borys Osmialowski, Tadeusz M. Krygowski, Reijo Kauppinen, Maija Nissinen, Ryszard Gawinecki

Journal:

Year:

2000

File:

PDF, 32 KB

2000

25

ChemInform Abstract: Reversal of Diastereoselectivity of Nitrile Oxide 1,3-Dipolar Cycloadditions by Mg(II). Acceleration of Cycloaddition by Microwave Irradiation.

Peter Micuch, L'ubor Fisera, Michal K. Cyranski, Tadeusz M. Krygowski, Jan Krajcik

Journal:

Year:

2000

File:

PDF, 35 KB

2000

26

ChemInform Abstract: Structural Aspects of Aromaticity

Tadeusz Marek Krygowski, Michal Ksawery Cyranski

Journal:

Year:

2001

File:

PDF, 24 KB

2001

27

ChemInform Abstract: 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.

Michalc K. Cyranski, Tadeusz M. Krygowski, Alzbeta Krutosikova, Robert Sleziak

Journal:

Year:

2002

File:

PDF, 27 KB

2002

28

Molecular Geometry as a Source of Chemical Information: Applications of the Bond Valence Bond Number Models

Slawomir J. Grabowski, Tadeusz M. Krygowski

Journal:

Year:

2003

File:

PDF, 4 KB

2003

29

Facts and Artifacts about Aromatic Stability Estimation

Michal K. Cyranski, Paul von Rague Schleyer, Tadeusz M. Krygowski, Haijun Jiao, Georg Hohlneicher

Journal:

Year:

2003

File:

PDF, 5 KB

2003

30

Nonplanar Aromatic Compounds. Part 8. Synthesis, Crystal Structures, and Aromaticity Investigations of the 1,n-Dioxa[n](2,7)pyrenophanes. How Does Bending Affect the Cyclic π-Electron Delocalization of the Pyrene System?

Graham J. Bodwell, John N. Bridson, Michal K. Cyranski, Jason W. J. Kennedy, Tadeusz M. Krygowski, Michael R. Mannion, David O. Miller

Journal:

Year:

2003

File:

PDF, 64 KB

2003

31

Angular Group Induced Bond Alternation (AGIBA). A New Face of Substituent Effect Detected in Molecular Geometry.

Tadeusz Marek Krygowski, Michal Ksawery Cyranski

Journal:

Year:

2003

File:

PDF, 55 KB

2003

32

Two Faces of the Structural Aspects of Aromaticity

Tadeusz Marek Krygowski, Michal Ksawery Cyranski

Journal:

Year:

2004

File:

PDF, 53 KB

2004

33

How H-Bonding Affects Aromaticity of the Ring in Variously Substituted Phenol Complexes with Bases. Part 4. Molecular Geometry as a Source of Chemical Information.

Tadeusz M. Krygowski, Halina Szatylowicz, Joanna E. Zachara

Journal:

Year:

2005

File:

PDF, 8 KB

2005

34

Molecular Geometry as a Source of Chemical Information. Part 5. Substituent Effect on Proton Transfer in Para-Substituted Phenol Complexes with Fluoride — A B3LYP/6-311 + G** Study.

Tadeusz M. Krygowski, Halina Szatylowicz, Joanna E. Zachara

Journal:

Year:

2005

File:

PDF, 8 KB

2005

35

Interrelation Between H-Bond and Pi-Electron Delocalization

Lucjan Sobczyk, Slawomir Janusz Grabowski, Tadeusz Marek Krygowski

Journal:

Year:

2006

File:

PDF, 8 KB

2006

36

Sigma- and Pi-Electron Delocalization: Focus on Substituted Effects

Tadeusz Marek Krygowski, Beata Tamara Stepien

Journal:

Year:

2006

File:

PDF, 8 KB

2006

37

How H-Bonding Modifies Molecular Structure and π-Electron Delocalization in the Ring of Pyridine/Pyridinium Derivatives Involved in H-Bond Complexation.

Tadeusz M. Krygowski, Halina Szatylowicz, Joanna E. Zachara

Journal:

Year:

2006

File:

PDF, 9 KB

2006

38

Basis set dependence, precision, and accuracy of full ab initio gradient optimizations of molecular structures of nonstrained hydrocarbons. I. CC bond lengths

Günter Häfelinger, Claus Ulrich Regelmann, Tadeusz Marek Krygowski, Krzysztof Wozniak

Journal:

Journal of Computational Chemistry

Year:

1989

Language:

english

File:

PDF, 1.30 MB

english, 1989

39

Atom-atom potential calculations on two mechanisms for proton transfer in carboxylic acid dimers

Sławomir J. Grabowski, Tadeusz M. Krygowski

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 237 KB

english, 1988

40

Quantum-chemical approach to the ion pair formation (IPF) equilibrium constants of nitrobenzene radical anions with univalent cations and water molecul

Tadeusz M. Krygowski, Marek Lipsztajn, Paweł Radzikowski

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 444 KB

english, 1975

41

Crystallographic studies and physicochemical properties of π-electron systems: Part XIV. Crystal and molecular structure of N,N-dimethyl-p-nitroanaline

Jan Maurin, Tadeusz M. Krygowski

Journal:

Journal of Molecular Structure

Year:

1988

Language:

english

File:

PDF, 479 KB

english, 1988

42

Conformation of condensed polycyclic aromatic hydrocarbons Part III. The molecular and crystal structure of tribenzo [a,h,rst] phenanthra [1,2,10-cde] pentaphene: a simple analysis of the in-plane distortions due to overcrowding

Isao Oonishi, Shigeru Ohshima, Shoji Fujisawa, Junji Aoki, Yuji Ohashi, Tadeusz Marek Krygowski

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 570 KB

english, 1992

43

Crystal and molecular structure of the lithium p-nitrosophenolate dihydrate dimer: an example of a strong dependence of the π-electron cooperative substituent effect on the hydrogen-bonding network in the crystal lattice

Tadeusz Marek Krygowski, Romana Anulewicz, Barbara Pniewska, Piotr Milart, Charles W. Bock, Masami Sawada, Yuko Takai, Terukiyo Hanafusa

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 613 KB

english, 1994

44

Separation of the energetic and geometric contributions to the aromaticity of π-electron carbocyclics.

Tadeusz Marek Krygowski, Michal Cyrański

Journal:

Year:

1996

Language:

english

File:

PDF, 622 KB

english, 1996

45

Separation of the energetic and geometric contributions to the aromaticity. Part IV. A general model for the π-electron systems

Tadeusz Marek Krygowski, Michal Cyrański

Journal:

Year:

1996

Language:

english

File:

PDF, 615 KB

english, 1996

46

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

Sean T. Howard, Tadeusz Marek Krygowski, Marek L. Glówka

Journal:

Year:

1996

Language:

english

File:

PDF, 317 KB

english, 1996

47

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

Michal Cyrański, Tadeusz Marek Krygowski

Journal:

Year:

1996

Language:

english

File:

PDF, 287 KB

english, 1996

48

Varying electronegativity: Effect of the nature and strength of H-bonding in anilide/aniline/anilinium complexes on the electronegativity of groups

Halina Szatyłowicz, Tadeusz M. Krygowski

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 310 KB

english, 2007

49

The effect of 5-substitution in the pyrimidine ring of dUMP on the interaction with thymidylate synthase: Molecular modeling and QSAR

Adam Jarmuła, Piotr Cieplak, Tadeusz M. Krygowski, Wojciech Rode

Journal:

Bioorganic & Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 705 KB

english, 2007

50

Aromatization of rings of fulvene and heptafulvene due to the through space interactions in [34]3,4,6,6-fulvene-4,5,8,8-heptafulvene-cyclophane

Wojciech P. Oziminski, Tadeusz M. Krygowski

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 562 KB

english, 2011