Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of .pi.-electron systems. - Tadeusz Marek Krygowski (J. Chem. Inf. Comput. Sci., 1993)

Local Aromatic Character of C60 and C70 and Their Derivatives. - Tadeusz Marek Krygowski; Arkadiusz Ciesielski (J. Chem. Inf. Comput. Sci., 1995)

Aromatic Character of the Benzene Ring Present in Various Topological Environments in Benzenoid Hydrocarbons. Nonequivalence of Indices of Aromaticity. - Tadeusz Marek Krygowski; Arkadiusz Ciesielski; Clive William Bird; Andras Kotschy (J. Chem. Inf. Comput. Sci., 1995)

Separation of the Energetic and Geometric Contributions to Aromaticity, 3. Analysis of the Aromatic Character of Benzene Rings in Their Various Topological and Chemical Environments in the Substituted Benzene Derivatives. - Michal Cyranski; Tadeusz Marek Krygowski (J. Chem. Inf. Comput. Sci., 1996)

Separation of the Energetic and Geometric Contributions to Aromaticity, 2. Analysis of the Aromatic Character of Benzene Rings in Their Various Topological Environments in the Benzenoid Hydrocarbons. Crystal and Molecular Structure of Coronene. - Tadeusz Marek Krygowski; Michal Cyranski; Arkadiusz Ciesielski; Bozena Swirska; Piotr Leszczynski (J. Chem. Inf. Comput. Sci., 1996)

How H-Bonding Affects Aromaticity of the Ring in Variously Substituted Phenol Complexes with Bases. 4. Molecular Geometry as a Source of Chemical Information. - Tadeusz Marek Krygowski; Halina Szatylowicz; Joanna E. Zachara (J. Chem. Inf. Model., 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. - Tadeusz Marek Krygowski; Halina Szatylowicz; Joanna E. Zachara (J. Chem. Inf. Model., 2005)

Theoretical Study of Changes in pi-Electron Delocalization in the Analogues of an ortho-Hydroxy Schiff Base When the Proton Is Replaced with Li+ or BeH+. - Tadeusz Marek Krygowski; Joanna E. Zachara; Robert Moszynski (J. Chem. Inf. Model., 2005)

Long-Distance Structural Consequences of H-Bonding. How H-Bonding Affects Aromaticity of the Ring in Variously Substituted Aniline/Anilinium/Anilide Complexes with Bases and Acids. - Halina Szatylowicz; Tadeusz Marek Krygowski; Joanna E. Zachara-Horeglad (J. Chem. Inf. Model., 2007)

Why Are the Kinked Polyacenes More Stable than the Straight Ones? A Topological Study and Introduction of a New Topological Index of Aromaticity. - Arkadiusz Ciesielski; Tadeusz Marek Krygowski; Michal Cyranski (J. Chem. Inf. Model., 2008)

Are Thermodynamic and Kinetic Stabilities Correlated? A Topological Index of Reactivity toward Electrophiles Used as a Criterion of Aromaticity of Polycyclic Benzenoid Hydrocarbons. - Arkadiusz Ciesielski; Tadeusz M. Krygowski; Michal Cyranski; Michal A. Dobrowolski; Alexandru T. Balaban (J. Chem. Inf. Model., 2009)

How to Find the Fries Structures for Benzenoid Hydrocarbons. - Arkadiusz Ciesielski; Tadeusz Marek Krygowski; Michal Cyranski (Symmetry, 2010)

Complexes of 4-substituted phenolates with HF and HCN: Energy decomposition and electronic structure analyses of hydrogen bonding. - Halina Szatylowicz; Tadeusz Marek Krygowski; Célia Fonseca Guerra; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2013)

The role of the long-range exchange corrections in the description of electron delocalization in aromatic species. - Dariusz W. Szczepanik; Miquel Solà; Marcin Andrzejak; Barbara Pawelek; Justyna Dominikowska; Mercedes Kukulka; Karol Dyduch; Tadeusz M. Krygowski; Halina Szatylowicz (J. Comput. Chem., 2017)

Dependence of the substituent energy on the level of theory. - Miroslaw Jablonski; Tadeusz M. Krygowski (J. Comput. Chem., 2021)

Solvent Effect on the Stability and Reverse Substituent Effect in Nitropurine Tautomers. - Anna Jezuita; Pawel Wieczorkiewicz; Halina Szatylowicz; Tadeusz M. Krygowski (Symmetry, 2021)

Energetic and Geometric Characteristics of Substituents, Part 3: The Case of NO2 and NH2 Groups in Their Mono-Substituted Derivatives of Six-Membered Heterocycles. - Pawel Wieczorkiewicz; Halina Szatylowicz; Tadeusz M. Krygowski (Symmetry, 2022)