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51

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

52

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

53

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

54

Two Faces of the Structural Aspects of Aromaticity

Tadeusz Marek Krygowski, Michal Ksawery Cyranski

Journal:

Year:

2004

File:

PDF, 53 KB

2004

55

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

56

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

57

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

Tadeusz Marek Krygowski, Beata Tamara Stepien

Journal:

Year:

2006

File:

PDF, 8 KB

2006

58

Interrelation Between H-Bond and Pi-Electron Delocalization

Lucjan Sobczyk, Slawomir Janusz Grabowski, Tadeusz Marek Krygowski

Journal:

Year:

2006

File:

PDF, 8 KB

2006

59

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

60

Analysis of PTEN and HIF-1α and correlation with efficacy in patients with advanced renal cell carcinoma treated with temsirolimus versus interferon-α

Robert A. Figlin, Paul de Souza, David McDermott, Janice P. Dutcher, Anna Berkenblit, Alexandra Thiele, Mizue Krygowski, Andrew Strahs, Jay Feingold, Joseph Boni, Gary Hudes

Journal:

Year:

2009

Language:

english

File:

PDF, 324 KB

english, 2009

61

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

62

Deformation directions obtained from atom-atom potentials: molecular deformations in crystals

T.M. Krygowski, I. Turowska-Tyrk

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 409 KB

english, 1987

63

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

64

CC bond lengths in radicals from electron paramagnetic resonance spectral data

Journal:

Journal of Molecular Structure

Year:

1973

Language:

english

File:

PDF, 152 KB

english, 1973

65

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

66

Crystallographic studies and physicochemical properties of π-electron compounds: Part XI. Crystal and molecular structure of sodium p-nitrobenzoate trihydrate

I. Turowska-Tyrk, T.M. Krygowski, M. Gdaniec, G. Häfelinger, G. Ritter

Journal:

Journal of Molecular Structure

Year:

1988

Language:

english

File:

PDF, 668 KB

english, 1988

67

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

68

Crystallographic studies on sterically affected chemical species Part II. Molecular and crystal structure of 1,8-bis(dimethylamino)- naphthalene tetrafluoroborate. Analysis of distortion of geometry in the aromatic part due to intramolecular hydrogen bonding

K. Woźniak, T.M. Krygowski, B. Kariuki, W. Jones, E. Grech

Journal:

Journal of Molecular Structure

Year:

1990

Language:

english

File:

PDF, 430 KB

english, 1990

69

Crystallographic studies of intra- and intermolecular interactions Part IV. Molecular and crystal structure of phthalazine semitetrafluoroborate: intramolecular changes in geometry as a consequence of H-bonding

K. Woźniak, T.M. Krygowski, B. Kariuki, W. Jones, E. Grech

Journal:

Journal of Molecular Structure

Year:

1990

Language:

english

File:

PDF, 392 KB

english, 1990

70

Crystal and molecular structures 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 pyrylium ring

I. Turowska-Tyrk, T.M. Krygowski, P. Milart

Journal:

Journal of Molecular Structure

Year:

1991

Language:

english

File:

PDF, 598 KB

english, 1991

71

Crystal and molecular sturcture 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 action

I. Turowska-Tyrk, T.M. Krygowski, P. Milart, G. Butt, R.D. Topsom

Journal:

Journal of Molecular Structure

Year:

1991

Language:

english

File:

PDF, 594 KB

english, 1991

72

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

73

Disordered H-bonding in phthalazine 1-methyl-5-tetrazolethione

K. Woźniak, T.M. Krygowski, E. Grech

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 350 KB

english, 1992

74

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

75

Aromatic character of the cyclopentadienyl moiety embedded in various chemical environments: a statistical treatment of the structural data

T.M. Krygowski, A. Ciesielski, M. Cyrański

Journal:

Journal of Molecular Structure

Year:

1996

Language:

english

File:

PDF, 1000 KB

english, 1996

76

Towards the unification of the substituent (position) constants in Hammett-Streitwieser equation

Journal:

Year:

1972

Language:

english

File:

PDF, 403 KB

english, 1972

77

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

78

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

79

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

80

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

81

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

82

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

83

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

84

Substituent effect on geometry of the NO and N(CH3)2 groups in para substituted derivatives of nitrosobenzene and N,N-dimethylaniline

N. Sadlej-Sosnowska, T.M. Krygowski

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 260 KB

english, 2009

85

Effect of aromatization of the ring on intramolecular H-bond in 3-hydroxy-4-formylo derivatives of fulvene

Wojciech P. Oziminski, Tadeusz M. Krygowski

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 382 KB

english, 2011

86

Resonance-assisted hydrogen bonding in terms of substituent effect

Tadeusz M. Krygowski, Joanna E. Zachara-Horeglad

Journal:

Year:

2009

Language:

english

File:

PDF, 194 KB

english, 2009

87

Comparison of the substituent effects in tetrazole systems and benzene. A computational study

W.P. Oziminski, T.M. Krygowski

Journal:

Year:

2011

Language:

english

File:

PDF, 774 KB

english, 2011

88

Crystal structure and solid state 13C NMR analysis of N-(methyl 3,4,6-tri-O-acetyl-α, and β-d-glucopyranosid-2-yl)-oxamide derivative of p-chloroaniline, N,N-diethylamine, N-methylaniline and N-ethylaniline

Andrzej Temeriusz, Romana Anulewicz, Iwona Wawer, Tadeusz M Krygowski, Bogusława Piekarska-Bartoszewicz, Magdalena Rowińska

Journal:

Carbohydrate Research

Year:

2001

Language:

english

File:

PDF, 238 KB

english, 2001

89

Aromaticity strongly affected by substituents in fulvene and heptafulvene as a new method of estimating the resonance effect

Beata T Stȩpień, Michał K Cyrański, Tadeusz M Krygowski

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 106 KB

english, 2001

90

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

Tadeusz M. Krygowski, Edyta Pindelska, Michał K. Cyrański, Günter Häfelinger

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 98 KB

english, 2002

91

Polarographic and voltammetric study of mono-nitro derivatives of benzenoid hydrocarbons in DMF-interpretation within hammett-streitwieser equation and HMO-theory

T.M. Krygowski, M. Stencel, Z. Galus

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1972

Language:

english

File:

PDF, 589 KB

english, 1972

92

An empirical equation describing solvation effects on the polarographic reduction of 1,2- and 1,4-naphthoquinones in the presence of ion pairing phenomena

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1972

Language:

english

File:

PDF, 217 KB

english, 1972

93

Ion pair formation effects in the reversible electroreduction of nitrobenzene in N,N-dimethylformamide

T.M. Krygowski, M. Lipsztajn, Z. Galus

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1973

Language:

english

File:

PDF, 438 KB

english, 1973

94

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

95

Polarographic investigation of the interactions between nitrobenzene radical anions, water and univalent cations in dimethylformamide/water mixtures

M. Lipsztajn, T.M. Krygowski, Z. Galus

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1974

Language:

english

File:

PDF, 473 KB

english, 1974

96

Electrochemical investigations of intermediates in electroreduction of aromatic nitro and nitroso compounds in DMF: Part I. Electrochemical behaviour of azoxybenzene

M. Lipsztajn, T.M. Krygowski, E. Laren, Z. Galus

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1974

Language:

english

File:

PDF, 405 KB

english, 1974

97

Separation of the enthalpic and entropic contributions to substituent effects for the electroreduction of organic molecules

W.R. Fawcett, T.M. Krygowski

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1977

Language:

english

File:

PDF, 525 KB

english, 1977

98

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

Peter Mičúch, L'ubor Fišera, Michał K Cyrański, Tadeusz M Krygowski, Ján Krajčı́k

Journal:

Year:

2000

Language:

english

File:

PDF, 163 KB

english, 2000

99

Angular Group Induced Bond Alternation (AGIBA). Part 4: Does the Effect Operate in the Systems with Alternated Bonds?

Tadeusz M. Krygowski, Edyta Pindelska, Michał K. Cyrański, Sławomir J. Grabowski

Journal:

Year:

2000

Language:

english

File:

PDF, 130 KB

english, 2000

100

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

Michał K Cyrański, Tadeusz M Krygowski, Alžbeta Krutošı́ková, Róbert Sleziak

Journal:

Year:

2001

Language:

english

File:

PDF, 103 KB

english, 2001