Krygowski TM - Search Results

1

Intramolecular Interactions in Derivatives of Uracil Tautomers.

Wieczorkiewicz PA, Krygowski TM, Szatylowicz H. Wieczorkiewicz PA, et al. Among authors: krygowski tm. Molecules. 2022 Oct 25;27(21):7240. doi: 10.3390/molecules27217240. Molecules. 2022. PMID: 36364066 Free PMC article.

2

Capturing the elusive aromaticity of bicalicene.

Oziminski WP, Palusiak M, Dominikowska J, Krygowski TM, Havenith RW, Gibson CM, Fowler PW. Oziminski WP, et al. Among authors: krygowski tm. Phys Chem Chem Phys. 2013 Mar 7;15(9):3286-93. doi: 10.1039/c2cp43426a. Epub 2013 Jan 29. Phys Chem Chem Phys. 2013. PMID: 23358331

3

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?

Bodwell GJ, Bridson JN, Cyrañski MK, Kennedy JW, Krygowski TM, Mannion MR, Miller DO. Bodwell GJ, et al. Among authors: krygowski tm. J Org Chem. 2003 Mar 21;68(6):2089-98. doi: 10.1021/jo0206059. J Org Chem. 2003. PMID: 12636366

4

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.

Krygowski TM, Zachara JE, Szatylowicz H. Krygowski TM, et al. J Org Chem. 2004 Oct 15;69(21):7038-43. doi: 10.1021/jo049245a. J Org Chem. 2004. PMID: 15471450

5

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

Krygowski TM, Szatyłowicz H, Zachara JE. Krygowski TM, et al. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2077-82. doi: 10.1021/ci049817s. J Chem Inf Comput Sci. 2004. PMID: 15554678

6

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.

Krygowski TM, Szatyłowicz H, Zachara JE. Krygowski TM, et al. J Chem Inf Model. 2005 May-Jun;45(3):652-6. doi: 10.1021/ci049633d. J Chem Inf Model. 2005. PMID: 15921455

7

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

Krygowski TM, Szatyłowicz H, Zachara JE. Krygowski TM, et al. J Org Chem. 2005 Oct 28;70(22):8859-65. doi: 10.1021/jo051354h. J Org Chem. 2005. PMID: 16238319

8

Varying electronegativity of OH/O- groups depending on the nature and strength of H-bonding in phenol/phenolate involved in H-bond complexation.

Krygowski TM, Szatyłowicz H. Krygowski TM, et al. J Phys Chem A. 2006 Jun 8;110(22):7232-6. doi: 10.1021/jp0605496. J Phys Chem A. 2006. PMID: 16737274

9

How the shape of the NH2 group depends on the substituent effect and H-bond formation in derivatives of aniline.

Szatyłowicz H, Krygowski TM, Hobza P. Szatyłowicz H, et al. Among authors: krygowski tm. J Phys Chem A. 2007 Jan 11;111(1):170-5. doi: 10.1021/jp065336v. J Phys Chem A. 2007. PMID: 17201400

10

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.

Szatyłowicz H, Krygowski TM, Zachara-Horeglad JE. Szatyłowicz H, et al. Among authors: krygowski tm. J Chem Inf Model. 2007 May-Jun;47(3):875-86. doi: 10.1021/ci600502w. Epub 2007 Apr 20. J Chem Inf Model. 2007. PMID: 17444628

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