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

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (42), p.28970-28981

2017

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Intramolecular Interactions in Derivatives of Uracil Tautomers

Molecules (Basel, Switzerland), 2022-10, Vol.27 (21), p.7240

2022

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

Journal of computational chemistry, 2017-07, Vol.38 (18), p.1640-1654

2017

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

Chemistry : a European journal, 2007-01, Vol.13 (28), p.7996-8006

2007

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On the relations between aromaticity and substituent effect

Structural chemistry, 2019-10, Vol.30 (5), p.1529-1548

2019

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Energetic and Geometric Characteristics of the Substituents: Part 2: The Case of NO2, Cl, and NH2 Groups in Their Mono-Substituted Derivatives of Simple Nitrogen Heterocycles

Molecules (Basel, Switzerland), 2021-10, Vol.26 (21), p.6543

2021

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Influence of the Solvent on the Stability of Aminopurine Tautomers and Properties of the Amino Group

Molecules (Basel, Switzerland), 2023-03, Vol.28 (7), p.2993

2023

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Mutual Relations between Substituent Effect, Hydrogen Bonding, and Aromaticity in Adenine-Uracil and Adenine-Adenine Base Pairs

Molecules (Basel, Switzerland), 2020-08, Vol.25 (16), p.3688

2020

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

Chemical reviews, 2014-06, Vol.114 (12), p.6383-6422

2014

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Energetic and Geometric Characteristics of Substituents, Part 3: The Case of NO2 and NH2 Groups in Their Mono-Substituted Derivatives of Six-Membered Heterocycles

Symmetry (Basel), 2022-01, Vol.14 (1), p.145

2022

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Stacking of nucleic acid bases: optimization of the computational approach—the case of adenine dimers

Structural chemistry, 2019-02, Vol.30 (1), p.351-359

2019

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Aromaticity Concepts Derived from Experiments

Sci, 2022-06, Vol.4 (2), p.24

2022

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Dependence of the substituent energy on the level of theory

Journal of computational chemistry, 2021-11, Vol.42 (29), p.2079-2088

2021

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Solvent Effect on the Stability and Reverse Substituent Effect in Nitropurine Tautomers

Symmetry (Basel), 2021-07, Vol.13 (7), p.1223

2021

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Impact of the Substituents on the Electronic Structure of the Four Most Stable Tautomers of Purine and Their Adenine Analogues

ACS omega, 2020-05, Vol.5 (20), p.11570-11577

2020

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Relation between the Substituent Effect and Aromaticity

Journal of organic chemistry, 2004-10, Vol.69 (20), p.6634-6640

2004

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Changes in Electron Structure of the Triple Bond in Substituted Acetylene and Diacetylene Derivatives

Chemphyschem, 2020-08, Vol.21 (16), p.1847-1857

2020

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Toward the Physical Interpretation of Inductive and Resonance Substituent Effects and Reexamination Based on Quantum Chemical Modeling

ACS omega, 2017-10, Vol.2 (10), p.7163-7171

2017

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Substituent effects and electron delocalization in five-membered N-heterocycles

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (28), p.19398-1941

2024

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Substituent Effect versus AromaticityA Curious Case of Fulvene Derivatives

Journal of organic chemistry, 2023-10, Vol.88 (20), p.14775-14780

2023

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Substituent Effects from the Point of View of Energetics and Molecular Geometry in Acene, Polyene, and Polyyne Derivatives

Journal of organic chemistry, 2023-07, Vol.88 (13), p.7940-7952

2023

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Inductive or Field Substituent Effect? Quantum Chemical Modeling of Interactions in 1‑Monosubstituted Bicyclooctane Derivatives

ACS omega, 2017-05, Vol.2 (5), p.1746-1749

2017

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Towards physical interpretation of substituent effects: the case of meta- and para-substituted anilines

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (17), p.11711-11721

2016

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Unraveling the Push‐Pull Effect in Acenes, Polyenes and Polyynes

Chemistry : a European journal, 2024-01, Vol.30 (4), p.e202303207-n/a

2024

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-07, Vol.121 (27), p.5196-5203

2017

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

Intramolecular Interactions in Derivatives of Uracil Tautomers

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

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

On the relations between aromaticity and substituent effect

Energetic and Geometric Characteristics of the Substituents: Part 2: The Case of NO2, Cl, and NH2 Groups in Their Mono-Substituted Derivatives of Simple Nitrogen Heterocycles

Influence of the Solvent on the Stability of Aminopurine Tautomers and Properties of the Amino Group

Mutual Relations between Substituent Effect, Hydrogen Bonding, and Aromaticity in Adenine-Uracil and Adenine-Adenine Base Pairs

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

Energetic and Geometric Characteristics of Substituents, Part 3: The Case of NO2 and NH2 Groups in Their Mono-Substituted Derivatives of Six-Membered Heterocycles

Stacking of nucleic acid bases: optimization of the computational approach—the case of adenine dimers

Aromaticity Concepts Derived from Experiments

Dependence of the substituent energy on the level of theory

Solvent Effect on the Stability and Reverse Substituent Effect in Nitropurine Tautomers

Impact of the Substituents on the Electronic Structure of the Four Most Stable Tautomers of Purine and Their Adenine Analogues

Relation between the Substituent Effect and Aromaticity

Changes in Electron Structure of the Triple Bond in Substituted Acetylene and Diacetylene Derivatives

Toward the Physical Interpretation of Inductive and Resonance Substituent Effects and Reexamination Based on Quantum Chemical Modeling

Substituent effects and electron delocalization in five-membered N-heterocycles

Substituent Effect versus AromaticityA Curious Case of Fulvene Derivatives

Substituent Effects from the Point of View of Energetics and Molecular Geometry in Acene, Polyene, and Polyyne Derivatives

Inductive or Field Substituent Effect? Quantum Chemical Modeling of Interactions in 1‑Monosubstituted Bicyclooctane Derivatives

Towards physical interpretation of substituent effects: the case of meta- and para-substituted anilines

Unraveling the Push‐Pull Effect in Acenes, Polyenes and Polyynes

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

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