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fe（η&t;#39;5&-c&,55&x&,5&）&,2&（x=ch，n，b）等富勒烯衍生物的非线性光学性质的理论研究.pdf62页
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摘要 自从C60被发现以来，尤其可得到大量产物之后，富勒烯的各种奇异性质一直吸引
着众多研究者的注意。富勒烯是一类纳米级的簇合物，且具有离域性很好的兀电子，它
的结构和性质的独特性预示着这类分子具有很好的非线性光学性质。然而理论和实验
初想像地那么大，随后人们发现经过修饰的电荷转移型富勒烯衍生物有很大的光学非
线性。 本文通过量子化学计算方法研究了两类富勒烯衍生物的几何结构、电子光谱和非
线性光学性质，探讨结构．光谱．非线性光学性质之间的关系，为新型非线性光学分子
材料的设计研究提供理论依据和借鉴。研究工作主要包括以下两部分内容：
它们的结构、电子光谱及三阶非线性光学性质。BP86，rzP水平上优化得到三个体系都
稳定存在。分析Fe2+与C55x5。配体之间的相互作用，得出轨道作用的大小顺序为I II，
ⅡI，静电作用的大小顺序为I HI Ⅱ。TDDFT计算电子吸收光谱，结果表明三个体系
迁；在较长波长段出现体系所特有的从Fe Cp 2到c50部分的电荷转移特征吸收峰。完全
态求和 SOS 方法计算三个体系的三阶非线性光学性质。其中，Dsd-Fe 'q5C5sB5 2化A
段的态密度较均匀地分布在分子中各个片断上，电子离域性较体系I、II要好，因而具
有最大的Y值。 2、应用密度泛函理论方法探讨了ZnPA．C,：,oCA化合物的几何结构、电子光谱以及
二阶非线性光学性质。优化的几何结构显示，在ZnPA．C60CA化合物中存在双氢键
N―-H…O，H…0的距离分别是1．447A和1．486A，其结合能为539．09KJ／tool，两分子间
存在很大的静电相互作用。分析电子结构发现，ZnP的引入使C60CA主体部分的电荷与
轨道分布发生变化，特别是C60CA部分的外接苯环上的电荷及
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... Himself
(TV Special)
Himself - Presenter: Fela! & Nominee: Best Musical
(TV Special)
(TV Movie)
(TV Series)
Himself - Guest
... Himself - Guest
(TV Movie)
(Documentary)
(uncredited)
(TV Special)
(TV Special)
Himself - Presenter: Best Visual Effects
/ Best Sound Editing and Best Sound Mixing and Best Film Editing
(TV Series)
Himself - Guest
... Himself - Guest
(as Wiru Sumisu)
(TV Special)
(TV Series)
... Himself
... Himself
(TV Series)
... Himself
(TV Series)
... Himself
(TV Series)
... Himself
(TV Series)
... Himself
(Video short)
(TV Series)
... Himself
... Himself
... Himself
... Himself
... Himself
(TV Series)
... Himself
(Video documentary short)
(TV Series documentary)
... Himself
(TV Series)
Himself - Guest
(as Wiru Sumisu)
(TV Series)
... Himself
(TV Special)
(TV Series)
Himself - Celebrity traveller
... Himself - Celebrity traveller
(TV Series)
... Himself
(TV Movie documentary)
(TV Series)
... Himself
(TV Series)
... Himself
... Himself
(Video documentary)
(TV Series)
... Himself
(TV Series)
... Himself
... Himself
... Himself
(TV Special)
(TV Special)
Himself - Presenter
(TV Special)
(TV Series documentary)
Himself - Exonerated Former Prisoner (segment "Exonerated")
/ Himself (segment "Will Smith")
... Himself - Exonerated Former Prisoner (segment "Exonerated")
... Himself (segment "Will Smith")
(TV Special)
(TV Series)
... Himself
(Video documentary)
(TV Series documentary)
... Himself
(TV Series)
... Himself
(TV Series)
... Himself
(TV Series)
Himself - Interviewee
... Himself - Interviewee
(TV Series)
... Himself
(TV Movie)
Himself - Presenter
(TV Series)
... Himself
... Himself
(TV Series documentary)
... Himself
(TV Series documentary)
... Himself
... Himself
... Himself
... Himself
... Himself
(TV Special)
(Video short)
(Video short)
(Video short)
(TV Special)
(TV Movie)
Himself - Interviewee
(TV Special)
Himself - Nominee: Best Actor in a Leading Role & Presenter: America Film Clip
(Documentary)
(TV Special)
(TV Special)
Himself - Nominee: Best Actor in a Motion Picture - Drama
(TV Series)
... Himself
(TV Movie)
(TV Series)
... Himself
(TV Series)
... Himself
(TV Mini-Series)
... Himself
(TV Series)
... Himself
... Himself
(TV Series documentary)
... Himself
... Himself
(TV Movie)
(TV Movie)
(Video short)
(TV Special)
Himself - Presenter: Best Foreign Language Film
(TV Series)
... Himself
(Video short)
(TV Series)
Himself (2008)
(TV Special)
Himself - Winner
(Video documentary short)
(TV Series)
... Himself
(TV Special documentary)
Himself - Philadelphia
(TV Special)
Himself - Host
(Video documentary short)
(Video documentary short)
(Video documentary short)
(Video documentary short)
(Video documentary short)
(TV Series)
... Himself
... Himself
(TV Movie documentary)
(TV Series)
... Himself
(TV Series)
... Himself
(TV Series)
... Himself
(TV Series documentary)
Himself - César d'honneur
... Himself - César d'honneur
(TV Series)
... Himself
(TV Series)
... Himself
... Himself
(TV Series)
... Himself
... Himself
(Video documentary short)
(TV Special)
(TV Movie)
(TV Series)
... Himself
(Documentary)
(TV Special)
(TV Movie)
(TV Mini-Series documentary)
... Himself
(TV Series)
... Himself
(TV Series)
... Himself
(TV Special)
(TV Movie documentary)
(TV Series)
Himself - Rapper og skuespiller
... Himself - Rapper og skuespiller
(TV Series)
... Himself
(TV Series)
... Himself
... Himself
(TV Series)
... Himself
(TV Series)
... Himself
(uncredited)
(TV Special)
Himself - Presenter: Best Visual Effects
(TV Series)
Himself - Ali
... Himself - Ali
... Himself
(Video documentary)
(Video documentary)
(TV Special)
(TV Series)
... Himself
... Himself
(TV Series documentary)
... Himself
... Himself
(TV Special)
(TV Mini-Series)
(TV Special)
(Documentary)
(Video documentary short)
(Video documentary)
(Video documentary short)
(Video documentary short)
(TV Series)
... Himself
(TV Series documentary)
... Himself
... Himself
(TV Series)
... Himself
(TV Movie documentary)
(TV Special)
(TV Special documentary)
(TV Special)
Himself - Nominee: Best Actor in a Leading Role & Presenter: Best Film Editing
(TV Series)
Himself - Guest
... Himself - Guest
(TV Special)
Himself - Presenter
(TV Movie documentary)
(TV Series)
... Himself
(TV Movie documentary)
(TV Series)
... Himself
(TV Special documentary)
Himself - Nominee: Best Actor in a Motion Picture Drama
(TV Movie)
(TV Special)
(TV Series)
... Himself
(Video short)
(TV Special)
(TV Movie documentary)
(TV Special documentary)
(TV Special)
Himself - Presenter
(TV Series)
... Himself
... Himself
... Himself
(TV Special documentary)
(Video documentary short)
(Video documentary short)
(TV Special documentary)
(uncredited)
(TV Special)
(TV Special)
Himself - Performer
(TV Special)
Himself - Presenter
(Video documentary)
(Video documentary)
Himself - Actor
(TV Special)
(Video documentary)
(Video documentary)
(TV Special)
(TV Special)
(TV Series)
... Himself
... Himself
(TV Series)
... Himself
(TV Movie documentary)
(TV Series)
... Himself
(TV Special)
(TV Special)
(TV Special)
(TV Series documentary)
... Himself
(TV Special)
(TV Special)
Himself - Performer
(TV Special)
(TV Mini-Series documentary)
(TV Special)
(TV Series)
... Himself
(TV Series)
... Himself
(TV Special)
(TV Special)
(TV Special)
(TV Series)
... Himself
(Documentary)
(TV Movie documentary)
(TV Special documentary)
Himself - Presenter
(TV Series documentary)
... Himself
(TV Special)
(TV Special)
(TV Movie)
(TV Special)
Himself - Presenter: Best Documentary Short and Best Documentary Feature
(TV Special)
(TV Special)
(Video documentary)
(TV Short documentary)
(TV Special)
Himself - Winner, Best Film Actor Award
(TV Special)
(TV Series)
... Himself
(TV Movie documentary)
/ Steve Hiller (footage from 'Independence Day')
(TV Series)
... Himself
(TV Special)
Himself - Presenter: Best Visual Effects
(TV Movie documentary)
(TV Series)
... Himself
(TV Special)
(TV Special)
Himself - Winner: Male Star of Tomorrow
(TV Special)
(TV Series)
... Himself
(TV Movie)
(TV Special)
Himself - Host
(TV Special)
(TV Special)
Himself - Nominee: Best Actor in a TV-Series - Comedy
(TV Series)
... Himself
... Himself
(TV Special)
Himself - Performer
(as The Fresh Prince)
(TV Series)
... Himself
(TV Special)
Himself - Presenter
(TV Series)
... Himself
... Himself
(as Fresh Prince)
... Himself
(as Fresh Prince)
... Himself
(as Fresh Prince)
(TV Series)
... Himself
... Himself
... Himself
(TV Special)
Himself - Nominee: Best Actor in a TV-Series - Comedy
(TV Special)
Himself - Host
(TV Movie)
Himself - Host
(TV Special)
(TV Special)
(as Fresh Prince)
(TV Special)
(TV Movie documentary)
(as Wil Smith)
(TV Series documentary)
... Himself
(as Fresh Prince)
(TV Series)
... Himself
... Himself
... Himself
... Himself
(TV Special)
(TV Special)
Himself - Presenter
(TV Movie documentary)
Himself - Lead Vocals
(as Fresh Prince)
(TV Series)
... Himself
... Himself
(as The Fresh Prince)
(TV Movie)
(TV Special)
(TV Movie)
(as Fresh Prince)
(TV Series)
... Himself
(TV Series)
... Himself
(TV Special)
Himself - Presenter: Outstanding Directing in a Variety or Music Program
(TV Movie)
(TV Movie)
(TV Special)
(as Fresh Prince)
(TV Special)
(as Fresh Prince)
(TV Series)
... Himself
(TV Series)
Himself - Host (1990)
(TV Series)
... Himself
(as The Fresh Prince)
(TV Special)
Himself - Performer
(as Fresh Prince)
(TV Special)
Himself - Performer
(TV Series)
... Himself
(as The Fresh Prince)
... Himself
... Himself
... Himself
... Himself
... Himself
... Himself
... Himself
... Himself
... Himself
... Himself
... Himself
... Himself
... Himself
Related Videos
Personal Details
Other Works:
Music video with Bomba Estéreo: "Fiesta" (Remix)
Publicity Listings:
1 Biographical Movie |
2 Print Biographies |
25 Interviews |
32 Articles |
15 Pictorials |
44 Magazine Cover Photos |
Official Sites:
Alternate Names:
The Fresh Prince | DJ Jazzy Jeff and The Fresh Prince | Fresh Prince | Wil Smith | Wiru Sumisu
6'&2"&(1.88&m)
Did You Know?
Personal Quote:
[on passing on the role of Django in
(2012)] Django wasn't the lead, so it was like, I need to be the lead. The other character was the lead! I was like, 'No, Quentin, please, I need to kill the bad guy!' I thought it was brilliant. Just not for me.
2007 - Ranked #5 on EW's The 50 Smartest People in Hollywood.
Trademark:
Often plays a policeman or an agent
Star Sign:
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