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Tadeusz Marek Krygowski
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Journal Articles
- 2022
- [j17]Pawel Wieczorkiewicz
, Halina Szatylowicz
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 14(1): 145 (2022) - 2021
- [j16]Miroslaw Jablonski
Dependence of the substituent energy on the level of theory. J. Comput. Chem. 42(29): 2079-2088 (2021) - [j15]Anna Jezuita
Solvent Effect on the Stability and Reverse Substituent Effect in Nitropurine Tautomers. Symmetry 13(7): 1223 (2021) - 2017
- [j14]Dariusz W. Szczepanik
The role of the long-range exchange corrections in the description of electron delocalization in aromatic species. J. Comput. Chem. 38(18): 1640-1654 (2017) - 2013
- [j13]Halina Szatylowicz
Complexes of 4-substituted phenolates with HF and HCN: Energy decomposition and electronic structure analyses of hydrogen bonding. J. Comput. Chem. 34(8): 696-705 (2013) - 2010
- [j12]Arkadiusz Ciesielski
How to Find the Fries Structures for Benzenoid Hydrocarbons. Symmetry 2(3): 1390-1400 (2010) - 2009
- [j11]Arkadiusz Ciesielski
Are Thermodynamic and Kinetic Stabilities Correlated? A Topological Index of Reactivity toward Electrophiles Used as a Criterion of Aromaticity of Polycyclic Benzenoid Hydrocarbons. J. Chem. Inf. Model. 49(2): 369-376 (2009) - 2008
- [j10]Arkadiusz Ciesielski
Why Are the Kinked Polyacenes More Stable than the Straight Ones? A Topological Study and Introduction of a New Topological Index of Aromaticity. J. Chem. Inf. Model. 48(7): 1358-1366 (2008) - 2007
- [j9]Halina Szatylowicz
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. J. Chem. Inf. Model. 47(3): 875-886 (2007) - 2005
- [j8]Tadeusz Marek Krygowski, Halina Szatylowicz
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. J. Chem. Inf. Model. 45(3): 652-656 (2005) - [j7]Tadeusz Marek Krygowski, Joanna E. Zachara, Robert Moszynski:
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+. J. Chem. Inf. Model. 45(6): 1837-1841 (2005) - 2004
- [j6]Tadeusz Marek Krygowski, Halina Szatylowicz
How H-Bonding Affects Aromaticity of the Ring in Variously Substituted Phenol Complexes with Bases. 4. Molecular Geometry as a Source of Chemical Information. J. Chem. Inf. Model. 44(6): 2077-2082 (2004) - 1996
- [j5]Tadeusz Marek Krygowski, Michal Cyranski, Arkadiusz Ciesielski
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. J. Chem. Inf. Comput. Sci. 36(6): 1135-1141 (1996) - [j4]Michal Cyranski, Tadeusz Marek Krygowski:
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. J. Chem. Inf. Comput. Sci. 36(6): 1142-1145 (1996) - 1995
- [j3]Tadeusz Marek Krygowski, Arkadiusz Ciesielski
Aromatic Character of the Benzene Ring Present in Various Topological Environments in Benzenoid Hydrocarbons. Nonequivalence of Indices of Aromaticity. J. Chem. Inf. Comput. Sci. 35(2): 203-210 (1995) - [j2]Tadeusz Marek Krygowski, Arkadiusz Ciesielski
Local Aromatic Character of C60 and C70 and Their Derivatives. J. Chem. Inf. Comput. Sci. 35(6): 1001-1003 (1995) - 1993
- [j1]Tadeusz Marek Krygowski:
Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of .pi.-electron systems. J. Chem. Inf. Comput. Sci. 33(1): 70-78 (1993)
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