화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Spectral Properties of Spirooxazine Photochromes: TD-DFT Insights
Perrier A, Maurel F, Perpete EA, Wathelet V, Jacquemin D
Journal of Physical Chemistry A, 113(46), 13004, 2009
2 TD-DFT investigation of the UV spectra of pyranone derivatives
Preat J, Jacquemin D, Wathelet V, Andre JM, Perpete EA
Journal of Physical Chemistry A, 110(26), 8144, 2006
3 Ab initio investigation of the n ->pi* transitions in thiocarbonyl dyes
Jacquemin D, Wathelet V, Perpete EA
Journal of Physical Chemistry A, 110(29), 9145, 2006
4 Thioindigo dyes: Highly accurate visible spectra with TD-DFT
Jacquemin D, Preat J, Wathelet V, Fontaine M, Perpete EA
Journal of the American Chemical Society, 128(6), 2072, 2006
5 Substitution effects on the visible spectra of 1,4-diNHPh-9, 10-anthraquinones
Jacquemin D, Preat J, Wathelet V, Andre JM, Perpete EA
Chemical Physics Letters, 405(4-6), 429, 2005
6 Theoretical investigation of substituted anthraquinone dyes
Jacquemin D, Preat J, Charlot M, Wathelet V, Andre JM, Perpete EA
Journal of Chemical Physics, 121(4), 1736, 2004
7 Ab initio investigation of the structures and properties of polyaminoborane
Jacquemin D, Perpete EA, Wathelet V, Andre JM
Journal of Physical Chemistry A, 108(44), 9616, 2004
8 Effects of chain substitution on the structures and properties of polyphosphinoborane
Jacquemin D, Wathelet V, Perpete EA
Macromolecules, 37(13), 5040, 2004