Wawrzyniec Niewodniczański, Ph.D.

http://wawrzek.name

Research profile

  • non-linear optical properties of organic molecules;
  • electronic strucuture of betaine dyes;
  • computational aspect of quantum chemistry.
I'm working in CCDC as Product Support Engineer.

Publications

  1. W. Niewodniczański, W. Bartkowiak, Theoretical Study of Geometrical and Nonlinear Optical Properties of Pyridinium N-Phenolate Betaine Dyes, J.Mol.Model. 13 793-800 (2007) DOI
  2. B. Skwara, W. Bartkowiak, R. W. Góra, W. Niewodniczański, S. Roszak, On the weak intermolecular interactions and their influence on the optical properties of unsaturated hydrocarbons. Part 1: Two-body interactions., Mol. Phys. 104 (13-14), 2263-2271 (2006) DOI
  3. W. Niewodniczański, W. Bartkowiak, J. Leszczynski, Reinvestigation of molecular structure and barrier to internal rotation of pyridinium N-phenolate betaine dye, J. Mol. Model. 11 (4-5), 392-397 (2005) DOI
  4. B. Skwara, W. Bartkowiak, R. W. Góra, W. Niewodniczański, Theoretical Investigations of the Intermolecular Interactions between Unsaturated Hydrocarbons: π-cojugated and π-cumulated Oligomers, Annals Pol. Chem. Soc. 4 662-666 (2005)
  5. W. Bartkowiak, W. Niewodniczański, T. Misiaszek, R. Zaleśny, First-order hyperpolarizabilty of piridinium N-phenolate betaine dye: Ab inito study., Chem. Phys. Lett. 411 (1-3), 8-13 (2005) DOI
  6. W. Niewodniczański, W. Bartkowiak, J. Leszczynski, Betaine dyes: molecular structure and barriers to internal rotations., Annals Pol. Chem. Soc. 2 894-898 (2003)
  7. W. Bartkowiak, R. Zaleśny, W. Niewodniczański, J. Leszczynski, Quantum chemical calculations of the first- and second-order hyperpolarizabilieties of molecules in solutions., J. Phys. Chem. A 105 (47), 10702-10710 (2001) DOI

Conference presentations


  • I Krajowa Konferencja Nanotechnologii, Wrocław 2007, poster.
  • Central European Symposium of Theoretical Chemistry, Zakopane 2006, poster (S-B/P16).
  • Modelling and Design of Molecular Materials, Wrocław 2006 poster (P-38). PDF
  • Central European Symposium of Theoretical Chemistry, Sachticky 2005, poster (S-II/P8).
  • XLVIII Convention of PTCh and SITPCh, Poznań 2005, oral presentation (S5-K9) co-author.
  • Linear and Non-Linear Responses of Matter to Electromagnetic Field Perturbations, Toruń 2004, oral presentation "Nonlinear optical properties of betaine dyes". PDF
  • XV Polish National Conference "Kryształy Molekularne", Częstochowa 2004, poster (P41). PDF
  • Modelling and Design of Molecular Materials, Wrocław 2004, poster (P-21).
  • Modeling and Design of Molecular Materials, Wrocław 2004 poster (P-38).
  • XLVII Convention of PTCh and SITPCh, Wrocław 2004, oral presentation "Hiperpolaryzowalności I-rzędu barwników betainowych" (S06 K006). PDF
  • XLVII Convention of PTCh and SITPCh, Wrocław 2004, poster (S06 P021).
  • XLVI Convention of PTCh and SITPCh, Lublin 2003, poster (S10 P13).
  • XII Polish National Conference "Kryształy Molekularne", Kraków 2000, poster and conference materials page 168.
  • XLIII Convetion of PTCh and SITPCh, Łódz 2000, poster (M5 P12).
Impact Factors
  • J. Phys. Chem. A 105 (47), 10702 (2001): 2.63 [14=8/6/0]
  • J. Mol. Model. 11 (4-5), 392 (2005): 1.67 [1=0/0/1;2=0/0/2]
  • Chem. Phys. Lett. 411 (1-3) 8 (2005): 2.44 [2=1/1/0;6=3/1/2]
  • Mol. Phys. 104 (13-14), 2263 (2006) 1.69 [1=0/1/0;]
  • J. Mol. Model. 13 (6-7), 793 (2007) 1.67 [0;1=1/0/0]