Ionized and excited states of ferrocene: Symmetry adapted cluster–configuration–interaction study
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چکیده
منابع مشابه
Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry adapted cluster „SAC...—configuration interaction „CI... study
The symmetry adapted cluster ~SAC!/SAC-configuration interaction method was applied to calculate the ground and excited states of zinc porphyrin monomers ~without and with phenyl groups, ZnP and ZnPPh, respectively! and meso–meso linked (Zn2PMM) and doubly fused (Zn2PDF) zinc porphyrin dimers. Various features of the absorption spectra are studied, clarified, and assigned theoretically. The cal...
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Y. Tokita,†,‡,§ J. Hasegawa,† and H. Nakatsuji*,†,‡,| Department of Synthetic Chemistry and Biological Chemistry, Faculty of Engineering, Kyoto UniVersity, Sakyo-ku, Kyoto 606-01, Japan, The Institute for Fundamental Chemistry, 34-4 Takano Nishi-Hiraki-cho, Sakyo-ku, Kyoto 606, Japan, Research Center, Denki Kagaku Kogyo Co., Ltd., 3-5-1 Asahimachi, Machida-shi Tokyo 194, Japan, and Department o...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2002
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1504709