화학공학소재연구정보센터
검색결과 : 23건
No. Article
1 Endocyclic Cleavage in Glycosides with 2,3-trans Cyclic Protecting Groups
Satoh H, Manabe S, Ito Y, Luthi HP, Laino T, Hutter J
Journal of the American Chemical Society, 133(14), 5610, 2011
2 Structural Features Analysis and Nonlinearity of End-Cap-Substituted Polyacetylenes
Borini S, Limacher PA, Luthi HP
Journal of Physical Chemistry A, 114(5), 2221, 2010
3 A time-dependent density-functional theory investigation of the fluorescence behavior of related cyano and di-cyano isomers of 4-(N, N-dimethylamino) benzonitrile
Jodicke CJ, Luthi HP
Chemical Physics Letters, 368(5-6), 561, 2003
4 Rational classification of a series of aromatic donor-acceptor systems within the twisting intramolecular charge transfer model, a time-dependent density-functional theory investigation
Jamorski CJ, Luthi HP
Journal of Chemical Physics, 119(24), 12852, 2003
5 Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems
Jodicke CJ, Luthi HP
Journal of the American Chemical Society, 125(1), 252, 2003
6 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
7 Time-dependent density-functional theory investigation of the formation of the charge transfer excited state for a series of aromatic donor-acceptor systems. Part I
Jodicke CJ, Luthi HP
Journal of Chemical Physics, 117(9), 4146, 2002
8 Time-dependent density-functional theory investigation of the formation of the charge transfer excited state for a series of aromatic donor-acceptor systems. Part II
Jodicke CJ, Luthi HP
Journal of Chemical Physics, 117(9), 4157, 2002
9 Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory: Assessing the PW91 model
Tsuzuki S, Luthi HP
Journal of Chemical Physics, 114(9), 3949, 2001
10 Similarities and differences between (C-60)(2)(2-) and (C59N)(2) conformers
Lee KH, Park SS, Suh YS, Yamabe T, Osawa E, Luthi HP, Gutta P, Lee CH
Journal of the American Chemical Society, 123(44), 11085, 2001