화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Structural and Electronic Models of the Water Oxidizing Complex in the S-0 State of Photosystem II: A Density Functional Study.
Jaszewski AR, Stranger R, Pace RJ
Journal of Physical Chemistry B, 115(15), 4484, 2011
2 Influence of Pb(II) Ions on the EPR Properties of the Semiquinone Radicals of Humic Acids and Model Compounds: High Field EPR and Relativistic DFT Studies
Witwicki M, Jerzykiewicz M, Jaszewski AR, Jezierska J, Ozarowski A
Journal of Physical Chemistry A, 113(51), 14115, 2009
3 The pH-induced shift in the g-tensor components of semiquinone-type radicals in humic acids - DFT and EPR studies
Witwicki M, Jaszewski AR, Jezierska J, Jerzykiewicz M, Jezierski A
Chemical Physics Letters, 462(4-6), 300, 2008
4 Time-Dependent DFT Studies of Metal Core-Electron Excitations in Mn Complexes
Jaszewski AR, Stranger R, Pace RJ
Journal of Physical Chemistry A, 112(44), 11223, 2008
5 The effect of the carbonyl moiety on the spin density delocalization in the iminoxy radicals. Hybrid density functional studies
Jaszewski AR, Tabaka K, Jezierska J, Kedzierska J
Chemical Physics Letters, 367(5-6), 678, 2003
6 An ab initio approach to the structure and EPR parameters of formaldiminoxy radical
Jaszewski AR, Jezierska J
Chemical Physics Letters, 334(1-3), 136, 2001
7 Hybrid density functional studies on the EPR parameters of heterosubstituted vinyl radicals: substituent effect on the isotropic hyperfine couplings with H-1 and C-13 nuclei
Jaszewski AR, Jezierska J
Chemical Physics Letters, 340(5-6), 581, 2001
8 The view on the C=N-O group in the RHC=NO (R = H, BH2, CH3, NH2, OH, F) iminoxy radicals by means of electron localisation function (ELF)
Berski S, Jaszewski AR, Jezierska J
Chemical Physics Letters, 341(1-2), 168, 2001
9 HDF and QCI studies on the heterosubstituted iminoxy radicals: substituent effect on the isotropic hyperfine couplings with C-13 and H-1 nuclei
Jaszewski AR
Chemical Physics Letters, 342(1-2), 239, 2001
10 Hybrid density functional approach to the isotropic and anisotropic hyperfine couplings with N-14 and H-1 nuclei in the blue copper proteins
Jaszewski AR, Jezierska J
Chemical Physics Letters, 343(5-6), 571, 2001