Bartkowiak W - Search Results

1

Hydrogen-bond effects on the electronic absorption spectrum and evaluation of nonlinear optical properties of an aminobenzodifuranone derivative that exhibits the largest positive solvatochromism.

Bartkowiak W, Lipkowski P. Bartkowiak W, et al. J Mol Model. 2005 Sep;11(4-5):317-22. doi: 10.1007/s00894-005-0249-6. Epub 2005 Jul 9. J Mol Model. 2005. PMID: 16007436

2

Reinvestigation of molecular structure and barrier to internal rotation of pyridinium N-phenolate betaine dye.

Niewodniczański W, Bartkowiak W, Leszczynski J. Niewodniczański W, et al. Among authors: bartkowiak w. J Mol Model. 2005 Sep;11(4-5):392-7. doi: 10.1007/s00894-005-0274-5. Epub 2005 Jul 9. J Mol Model. 2005. PMID: 16007432

3

Experimental and theoretical investigations of spectroscopic properties of azobenzene derivatives in solution.

Zaleśny R, Matczyszyn K, Kaczmarek A, Bartkowiak W, Cysewski P. Zaleśny R, et al. Among authors: bartkowiak w. J Mol Model. 2007 Jul;13(6-7):785-91. doi: 10.1007/s00894-007-0199-2. Epub 2007 Apr 17. J Mol Model. 2007. PMID: 17437138

4

Theoretical study of geometrical and nonlinear optical properties of pyridinum N-phenolate betaine dyes.

Niewodniczański W, Bartkowiak W. Niewodniczański W, et al. Among authors: bartkowiak w. J Mol Model. 2007 Jul;13(6-7):793-800. doi: 10.1007/s00894-007-0198-3. Epub 2007 Apr 20. J Mol Model. 2007. PMID: 17447089

5

Linear and nonlinear optical properties of azobenzene derivatives.

Krawczyk P, Kaczmarek A, Zaleśny R, Matczyszyn K, Bartkowiak W, Ziółkowski M, Cysewski P. Krawczyk P, et al. Among authors: bartkowiak w. J Mol Model. 2009 Jun;15(6):581-90. doi: 10.1007/s00894-008-0436-3. Epub 2009 Jan 14. J Mol Model. 2009. PMID: 19139933

6

Long-range corrected DFT calculations of charge-transfer integrals in model metal-free phthalocyanine complexes.

Mikołajczyk MM, Zaleśny R, Czyżnikowska Z, Toman P, Leszczynski J, Bartkowiak W. Mikołajczyk MM, et al. Among authors: bartkowiak w. J Mol Model. 2011 Sep;17(9):2143-9. doi: 10.1007/s00894-010-0865-7. Epub 2010 Oct 27. J Mol Model. 2011. PMID: 20978917 Free PMC article.

7

Large changes of static electric properties induced by hydrogen bonding: an ab initio study of linear HCN oligomers.

Góra RW, Zaleśny R, Zawada A, Bartkowiak W, Skwara B, Papadopoulos MG, Silva DL. Góra RW, et al. Among authors: bartkowiak w. J Phys Chem A. 2011 May 12;115(18):4691-700. doi: 10.1021/jp110226h. Epub 2011 Apr 14. J Phys Chem A. 2011. PMID: 21491879

8

Electronic structure, bonding, spectra, and linear and nonlinear electric properties of Ti@C28.

Skwara B, Góra RW, Zaleśny R, Lipkowski P, Bartkowiak W, Reis H, Papadopoulos MG, Luis JM, Kirtman B. Skwara B, et al. Among authors: bartkowiak w. J Phys Chem A. 2011 Sep 22;115(37):10370-81. doi: 10.1021/jp206331n. Epub 2011 Aug 30. J Phys Chem A. 2011. PMID: 21790194

9

On the potential application of DFT methods in predicting the interaction-induced electric properties of molecular complexes. Molecular H-bonded chains as a case of study.

Zawada A, Kaczmarek-Kędziera A, Bartkowiak W. Zawada A, et al. Among authors: bartkowiak w. J Mol Model. 2012 Jul;18(7):3073-86. doi: 10.1007/s00894-011-1312-0. Epub 2011 Dec 17. J Mol Model. 2012. PMID: 22179307 Free PMC article.

10

Hydrogen-bonded complexes upon spatial confinement: structural and energetic aspects.

Lipkowski P, Kozłowska J, Roztoczyńska A, Bartkowiak W. Lipkowski P, et al. Among authors: bartkowiak w. Phys Chem Chem Phys. 2014 Jan 28;16(4):1430-40. doi: 10.1039/c3cp53583e. Phys Chem Chem Phys. 2014. PMID: 24296646

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