화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Assessment of time-dependent density-functional theory for the calculation of critical features in the absorption spectra of a series of aromatic donor-acceptor systems
Jamorski C, Foresman JB, Thilgen C, Luthi HP
Journal of Chemical Physics, 116(20), 8761, 2002
2 Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
Casida ME, Jamorski C, Casida KC, Salahub DR
Journal of Chemical Physics, 108(11), 4439, 1998
3 Molecular versus dissociative chemisorption of nitric oxide on Co-2 and Co-3 (neutral and cationic). A density functional study
Martinez A, Jamorski C, Medina G, Salahub DR
Journal of Physical Chemistry A, 102(24), 4643, 1998
4 Dynamic Polarizabilities and Excitation-Spectra from a Molecular Implementation of Time-Dependent Density-Functional Response Theory - N-2 as a Case-Study
Jamorski C, Casida ME, Salahub DR
Journal of Chemical Physics, 104(13), 5134, 1996
5 Theoretical Determination of Spectral-Lines for the Zn Atom and the Znh Molecule
Jamorski C, Dargelos A, Teichteil C, Daudey JP
Journal of Chemical Physics, 100(2), 917, 1994