화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Theoretical investigation of CO interaction with copper sites in zeolites: Periodic DFT and hybrid quantum mechanical/interatomic potential function study
Bludsky O, Silhan M, Nachtigall P, Bucko T, Benco L, Hafner J
Journal of Physical Chemistry B, 109(19), 9631, 2005
2 Theoretical investigation of the vibrational dynamics of Ag+CO solvated in the Ne matrix
Silhan M, Nachtigall P, Bludsky O
Chemical Physics Letters, 375(1-2), 54, 2003
3 Calculations of site-specific CO stretching frequencies for copper carbonyls with the "near spectroscopic accuracy": CO interaction with Cu+/MFI
Bludsky O, Silhan M, Nachtigallova D, Nachtigall P
Journal of Physical Chemistry A, 107(48), 10381, 2003
4 Theoretical investigation of the effect of the rare gas matrices on the vibrational spectra of solvated molecular ions: Cu+CO
Bludsky O, Silhan M, Nachtigall P
Journal of Chemical Physics, 117(20), 9298, 2002