Lista de obras - Tadeusz Krygowski - Dominio Público Uruguay

(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

artículo científico publicado en 2004

(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.

artículo científico publicado en 2002

Acyclic versus cyclic π-electron delocalization. How is the substituent effect related to π-electron delocalization?

Are thermodynamic and kinetic stabilities correlated? A topological index of reactivity toward electrophiles used as a criterion of aromaticity of polycyclic benzenoid hydrocarbons

artículo científico publicado en 2009

Aromatic character of heptafulvene and its complexes with halogen atoms

scientific article published on 19 October 2011

Aromaticity Induced by Electric Field: The Case of Polycalicenes.

artículo científico publicado en 2015

Aromaticity of H-bonded and metal complexes of guanine tautomers

Aromaticity of acenes: the model of migrating π-circuits

article

Aromaticity of substituted fulvene derivatives: substituent-dependent ring currents

artículo científico publicado en 2010

Classical and Reverse Substituent Effects in Substituted Anthrol Derivatives

artículo científico publicado en 2019

Classical and reverse substituent effects in meta- and para-substituted nitrobenzene derivatives

Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in CyclicN,N‘-Bisarylformamidine Dimers

artículo científico publicado en 1997

Complexes of 4-substituted phenolates with HF and HCN: energy decomposition and electronic structure analyses of hydrogen bonding.

artículo científico publicado en 2012

Conjugation paths in monosubstituted 1,2- and 2,3-naphthoquinones

artículo científico publicado el 7 de septiembre de 2011

Defining rules of aromaticity: a unified approach to the Hückel, Clar and Randić concepts ⬇️

artículo científico publicado el 21 de diciembre de 2010

Dependence of the Substituent Effect on Solvent Properties.

artículo científico publicado en 2018

Effect of H-bonding and complexation with metal ions on the π-electron structure of adenine tautomers.

artículo científico publicado en 2013

Effect of the substituent and hydrogen bond on the geometry and electronic properties of OH and O(-) groups in para-substituted phenol and phenolate derivatives.

artículo científico publicado en 2010

Extent of cyclic pi-electron delocalization modification in exocyclically substituted fulvenes

scientific article published on 01 August 2002

Factors Influencing Aromaticity: PCA Studies of Monosubstituted Derivatives of Pentafulvene, Benzene and Heptafulvene

article published in 2012

Graph-topological approach to magnetic properties of benzenoid hydrocarbons

artículo científico publicado en 2009

H-bonded complexes of aniline with HF/F- and anilide with HF in terms of symmetry-adapted perturbation, atoms in molecules, and natural bond orbitals theories.

artículo científico publicado en 2008

H-bonding-assisted substituent effect

artículo científico publicado en 2010

How H-bonding affects aromaticity of the ring in variously substituted phenol complexes with bases. 4. Molecular geometry as a source of chemical information.

artículo científico publicado en 2004

How H-bonding modifies molecular structure and pi-electron delocalization in the ring of pyridine/pyridinium derivatives involved in H-bond complexation.

artículo científico publicado en 2005

How OH and O– groups affect electronic structure of meta-substituted and para-substituted phenols and phenolates

article published in 2017

How the Shape of the NH2Group Depends on the Substituent Effect and H-Bond Formation in Derivatives of Aniline

scientific article published on 01 January 2007

Hydrogen bonding as a modulator of aromaticity and electronic structure of selected ortho-hydroxybenzaldehyde derivatives

artículo científico publicado en 2011

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

artículo científico publicado en 2010

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

artículo científico publicado en 2011

Interrelations between the mesomeric and electronegativity effects in para-substituted derivatives of phenol/phenolate and aniline/anilide H-bonded complexes: a DFT-based computational study

artículo científico publicado en 2009

Investigation of induced currents in cyclic forms of ortho-acylphenols and lithium analogues: does the lithium cation contribute to aromatic pi-electron delocalisation?

artículo científico publicado en 2008

Molecular geometry as a source of chemical information. 3. How H-bonding affects aromaticity of the ring in the case of phenol and p-nitrophenol complexes: a B3LYP/6-311+G study

artículo científico publicado en 2004

Molecular geometry as a source of chemical information. 5. Substituent effect on proton transfer in para-substituted phenol complexes with fluoride--a B3LYP/6-311+G study.

artículo científico publicado en 2005

Most of the field/inductive substituent effect works through the bonds

scientific article published on 19 November 2019

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?

artículo científico publicado en 2003

On the aromatic character of the heterocyclic bases of DNA and RNA.

artículo científico publicado en 2003

Relation between the substituent effect and aromaticity

artículo científico publicado en 2004

Routes of π-Electron Delocalization in 4-Substituted-1,2-benzoquinones†

artículo científico publicado en 2010

Sigma- and pi- electron structure of aza-azoles

artículo científico publicado en 2010

Substituent Effect on the σ- and π-Electron Structure of the Nitro Group and the Ring in Meta- and Para-Substituted Nitrobenzenes.

artículo científico publicado en 2017

Super-Delocalized Valence Isomer of Coronene†

article

The electron density of delocalized bonds (EDDB) applied for quantifying aromaticity

artículo científico publicado en 2017

The phenalenyl motif: a magnetic chameleon

artículo científico publicado en 2007

The role of the long-range exchange corrections in the description of electron delocalization in aromatic species.

artículo científico publicado en 2017

Theoretical study of electron-attracting ability of the nitro group: classical and reverse substituent effects

To what extent can aromaticity be defined uniquely?

artículo científico publicado en 2002

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

artículo científico publicado en 2014

Towards physical interpretation of substituent effects: the case of N- and C3-substituted pyrrole derivatives

Why 1,2-quinone derivatives are more stable than their 2,3-analogues?

Why are the kinked polyacenes more stable than the straight ones? A topological study and introduction of a new topological index of aromaticity

scientific article published on 12 June 2008

Lista de obras de Tadeusz Krygowski

(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

(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.

Acyclic versus cyclic π-electron delocalization. How is the substituent effect related to π-electron delocalization?

Are thermodynamic and kinetic stabilities correlated? A topological index of reactivity toward electrophiles used as a criterion of aromaticity of polycyclic benzenoid hydrocarbons

Aromatic character of heptafulvene and its complexes with halogen atoms

Aromaticity Induced by Electric Field: The Case of Polycalicenes.

Aromaticity of H-bonded and metal complexes of guanine tautomers

Aromaticity of acenes: the model of migrating π-circuits

Aromaticity of substituted fulvene derivatives: substituent-dependent ring currents

Classical and Reverse Substituent Effects in Substituted Anthrol Derivatives

Classical and reverse substituent effects in meta- and para-substituted nitrobenzene derivatives

Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in CyclicN,N‘-Bisarylformamidine Dimers

Complexes of 4-substituted phenolates with HF and HCN: energy decomposition and electronic structure analyses of hydrogen bonding.

Conjugation paths in monosubstituted 1,2- and 2,3-naphthoquinones

Defining rules of aromaticity: a unified approach to the Hückel, Clar and Randić concepts ⬇️

Dependence of the Substituent Effect on Solvent Properties.

Effect of H-bonding and complexation with metal ions on the π-electron structure of adenine tautomers.

Effect of the substituent and hydrogen bond on the geometry and electronic properties of OH and O(-) groups in para-substituted phenol and phenolate derivatives.

Extent of cyclic pi-electron delocalization modification in exocyclically substituted fulvenes

Factors Influencing Aromaticity: PCA Studies of Monosubstituted Derivatives of Pentafulvene, Benzene and Heptafulvene

Graph-topological approach to magnetic properties of benzenoid hydrocarbons

H-bonded complexes of aniline with HF/F- and anilide with HF in terms of symmetry-adapted perturbation, atoms in molecules, and natural bond orbitals theories.

H-bonding-assisted substituent effect

How H-bonding affects aromaticity of the ring in variously substituted phenol complexes with bases. 4. Molecular geometry as a source of chemical information.

How H-bonding modifies molecular structure and pi-electron delocalization in the ring of pyridine/pyridinium derivatives involved in H-bond complexation.

How OH and O– groups affect electronic structure of meta-substituted and para-substituted phenols and phenolates

How the Shape of the NH2Group Depends on the Substituent Effect and H-Bond Formation in Derivatives of Aniline

Hydrogen bonding as a modulator of aromaticity and electronic structure of selected ortho-hydroxybenzaldehyde derivatives

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

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

Interrelations between the mesomeric and electronegativity effects in para-substituted derivatives of phenol/phenolate and aniline/anilide H-bonded complexes: a DFT-based computational study

Investigation of induced currents in cyclic forms of ortho-acylphenols and lithium analogues: does the lithium cation contribute to aromatic pi-electron delocalisation?

Molecular geometry as a source of chemical information. 3. How H-bonding affects aromaticity of the ring in the case of phenol and p-nitrophenol complexes: a B3LYP/6-311+G study

Molecular geometry as a source of chemical information. 5. Substituent effect on proton transfer in para-substituted phenol complexes with fluoride--a B3LYP/6-311+G study.

Most of the field/inductive substituent effect works through the bonds

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?

On the aromatic character of the heterocyclic bases of DNA and RNA.

Relation between the substituent effect and aromaticity

Routes of π-Electron Delocalization in 4-Substituted-1,2-benzoquinones†

Sigma- and pi- electron structure of aza-azoles

Substituent Effect on the σ- and π-Electron Structure of the Nitro Group and the Ring in Meta- and Para-Substituted Nitrobenzenes.

Super-Delocalized Valence Isomer of Coronene†

The electron density of delocalized bonds (EDDB) applied for quantifying aromaticity

The phenalenyl motif: a magnetic chameleon

The role of the long-range exchange corrections in the description of electron delocalization in aromatic species.

Theoretical study of electron-attracting ability of the nitro group: classical and reverse substituent effects

To what extent can aromaticity be defined uniquely?

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

Towards physical interpretation of substituent effects: the case of N- and C3-substituted pyrrole derivatives

Why 1,2-quinone derivatives are more stable than their 2,3-analogues?

Why are the kinked polyacenes more stable than the straight ones? A topological study and introduction of a new topological index of aromaticity