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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

Structural Aspects of Aromaticity

Krygowski, Tadeusz Marek, Cyrański, Michał Ksawery

Journal:

Chemical Reviews

Year:

2001

Language:

english

File:

PDF, 597 KB

english, 2001

5

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

6

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

7

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

8

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

9

ChemInform Abstract: Structural Aspects of Aromaticity

Tadeusz Marek Krygowski, Michal Ksawery Cyranski

Journal:

Year:

2001

File:

PDF, 24 KB

2001

10

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

11

Two Faces of the Structural Aspects of Aromaticity

Tadeusz Marek Krygowski, Michal Ksawery Cyranski

Journal:

Year:

2004

File:

PDF, 53 KB

2004

12

Interrelation Between H-Bond and Pi-Electron Delocalization

Lucjan Sobczyk, Slawomir Janusz Grabowski, Tadeusz Marek Krygowski

Journal:

Year:

2006

File:

PDF, 8 KB

2006

13

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

Tadeusz Marek Krygowski, Beata Tamara Stepien

Journal:

Year:

2006

File:

PDF, 8 KB

2006

14

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

15

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

16

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

17

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

18

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

19

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

20

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

21

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

22

Electrochemical investigations of intermediates in electroreduction of aromatic nitro and nitroso compounds in N,N-dimethylformamide: Part II. Electrochemical behaviour of nitrosobenzene

Marek Lipsztajn, Tadeusz M. Krygowski, Ewa Laren, Zbigniew Galus

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1974

Language:

english

File:

PDF, 689 KB

english, 1974

23

Angular group-induced bond alternation. III. The case of ortho-dimethoxybenzene derivatives. Crystal and molecular structure of 3,4-dimethoxybenzaldehyde (4-methylphenyl)sulfonylhydrazone

Tadeusz Marek Krygowski, Edyta Piȩtka, Romana Anulewicz, MichałKsawery Cyrański, Jacek Nowacki

Journal:

Year:

1998

Language:

english

File:

PDF, 301 KB

english, 1998

24

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

Tadeusz Marek Krygowski, Romana Anulewicz, Barbara Pniewska, Piotr Milart

Journal:

Journal of Physical Organic Chemistry

Year:

1991

Language:

english

File:

PDF, 288 KB

english, 1991

25

Crystallographic studies of intra- and inter- molecular 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

Romana Anulewicz, Tadeusz Marek Krygowski, Ewa D. Raczyńska, Christian Laurence

Journal:

Journal of Physical Organic Chemistry

Year:

1991

Language:

english

File:

PDF, 345 KB

english, 1991

26

Structural studies of 1,3-di(N,N-dimethylformamidyl)-2-cyanoguanidine. The case of a strongly lewis basic nitrogen atom in the cyano group VIII. Crystallographic studies of intra- and inter-molecular interactions

Tadeusz Marek Krygowski, Romana Anulewicz, Ewa D. Raczyńska, Christian Laurence

Journal:

Journal of Physical Organic Chemistry

Year:

1991

Language:

english

File:

PDF, 252 KB

english, 1991

27

Crystal and moecular 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

Romana Anulewicz, Tadeusz Marek Krygowski, Ryszard Gawinecki, Danuta Rasała

Journal:

Journal of Physical Organic Chemistry

Year:

1993

Language:

english

File:

PDF, 265 KB

english, 1993

28

Molecular geometry as a source of chemical information. Part 2—An attempt to estimate the H-bond strength: the case of p-nitrophenol complexes with bases

Tadeusz Marek Krygowski, Joanna Ewa Zachara, Halina Szatylowicz

Journal:

Journal of Physical Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 87 KB

english, 2005

29

Editorial

Tadeusz Marek Krygowski

Journal:

Journal of Physical Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 26 KB

english, 2005

30

Low temperature crystal and molecular structure of nitrobenzene

Roland Boese, Dieter Bläser, Michael Nussbaumer, Tadeusz Marek Krygowski

Journal:

Structural Chemistry

Year:

1992

Language:

english

File:

PDF, 420 KB

english, 1992

31

Molecular structure of N,N′-diphenylformamidine

Romana Anulewicz, Tadeusz Marek Krygowski, Barbara Pniewska

Journal:

Journal of Chemical Crystallography

Year:

1987

Language:

english

File:

PDF, 395 KB

english, 1987

32

Hydroxyl group as a substituent with varying electronic properties: Effect of strength of H-bonding on charge density changes in Ph–OH…F−complexes

Halina Szatyłowicz, Tadeusz Marek Krygowski, Aneta Jezierska-Mazzarello

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 281 KB

english, 2011

33

Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes

Aneta Jezierska-Mazzarello, Halina Szatyłowicz, Tadeusz Marek Krygowski

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 180 KB

english, 2012

34

Crystallographic studies of intra- and inter-molecular interactions Part III. Refinement of the crystal and molecular structure of N,N-dimethyl-m-nitroaniline: additivity of substituent effects on geometrical parameters of the ring

Mariusz Krawiec, Tadeusz Marek Krygowski

Journal:

Journal of Molecular Structure

Year:

1991

Language:

english

File:

PDF, 556 KB

english, 1991

35

The proton transfer path for CO⋯H–O systems modelled from crystal structure data

Sławomir Janusz Grabowski, Tadeusz Marek Krygowski

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 84 KB

english, 1999

36

Electrochemical investigations of intermediates in electroreduction of aromatic nitro- and nitroso-compounds in DMF: Part III. Electrochemical characteristics of additional (red-ox) systems formed during the electroreduction of nitroso-, azoxy- and azobenzene

Marek Lipsztajn, Tadeusz M. Krygowski, Zbigniew Galus

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1977

Language:

english

File:

PDF, 560 KB

english, 1977

37

Hydrogen Bonding as a Modulator of Aromaticity and Electronic Structure of Selected ortho-Hydroxybenzaldehyde Derivatives

Jezierska-Mazzarello, Aneta, Panek, Jarosław J., Szatyłowicz, Halina, Krygowski, Tadeusz Marek

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 4.92 MB

english, 2012

38

The nitro group as substituent

Exner, Otto, Krygowski, Tadeusz Marek

Journal:

Chemical Society Reviews

Year:

1996

Language:

english

File:

PDF, 807 KB

english, 1996

39

Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of .pi.-electron systems

Krygowski, Tadeusz Marek

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 1.52 MB

english, 1993

40

On the Aromatic Character of the Heterocyclic Bases of DNA and RNA #

Cyrański, Michał K., Gilski, Mirosław, Jaskólski, Mariusz, Krygowski, Tadeusz Marek

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 160 KB

english, 2003

41

[Theoretical and Computational Chemistry] Theoretical Organic Chemistry Volume 5 || Molecular geometry as a source of chemical information for π-electron compounds

Marek Krygowski, Tadeusz

Year:

1998

Language:

english

File:

PDF, 3.37 MB

english, 1998

42

Through-Resonance Assisted Ionic Hydrogen Bonding in 5-Nitro- N -salicylideneethylamine

Krygowski, Tadeusz Marek, Woźniak, Krzysztof, Anulewicz, Romana, Pawlak, Dorota, Kolodziejski, Waclaw, Grech, Eugeniusz, Szady, Anna

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 260 KB

english, 1997

43

Two faces of the structural aspects of aromaticityPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.This paper is dedicated to Professor Janusz Oszczapowicz on the occasion of his retirement.

Marek Krygowski, Tadeusz, Ksawery Cyra?ski, Micha?

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 323 KB

english, 2004

44

Local Aromatic Character of C60 and C70 and Their Derivatives

Krygowski, Tadeusz Marek, Ciesielski, Arkadiusz

Journal:

Journal of Chemical Information and Modeling

Year:

1995

Language:

english

File:

PDF, 307 KB

english, 1995

45

(1 Z ,3 Z )-1,4-Di(pyridin-2-yl)buta-1,3-diene-2,3-diol: The Planar Highly Conjugated Symmetrical Enediol with Multiple Intramolecular Hydrogen Bonds.

Ośmiałowski, Borys, Kolehmainen, Erkki, Nissinen, Maija, Krygowski, Tadeusz Marek, Gawinecki, Ryszard

Journal:

Journal of Organic Chemistry

Year:

2004

File:

PDF, 16 KB

2004

46

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

Gdaniec, Maria, Turowska-Tyrk, Iloma, Krygowski, Tadeusz Marek

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1989

Language:

english

File:

PDF, 444 KB

english, 1989

47

Crystallographic studies of intra- and inter-molecular interactions. Crystal and molecular structure of N,N-dimethyl-4-nitro-3,5-xylidine. Structural evidence against the classical through-resonance concept in p-nitroaniline and derivatives

Krygowski, Tadeusz Marek, Maurin, Jan

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1989

Language:

english

File:

PDF, 475 KB

english, 1989

48

An explicit solvent quantum chemistry study on the water environment influence on the interactions of fluoride with phenol

Cysewski, Piotr, Szefler, Beata, Szatyłowicz, Halina, Krygowski, Tadeusz Marek

Journal:

New Journal of Chemistry

Year:

2009

Language:

english

File:

PDF, 973 KB

english, 2009

49

An Extension of the Hückel 4N + 2 Rule to Polycyclic Non-alternant Conjugated Hydrocarbons

Kruszewski, Jerzy, Krygowski, Tadeusz Marek

Journal:

Canadian Journal of Chemistry

Year:

1975

Language:

english

File:

PDF, 392 KB

english, 1975

50

Aromaticity induced by electric field – the case of polycalicenes

Dominikowska, Justyna, Krygowski, Tadeusz Marek, Oziminski, Wojciech Piotr, Palusiak, Marcin

Journal:

Journal of Organic Chemistry

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015