Structures and Electronic States of Permethyloligosilane Radical Ions with All-Trans Form Sin(CH3)2n+2± (n = 2−6): A Density Functional Theory Study

2006 ◽  
Vol 3 (1) ◽  
pp. 184-193 ◽  
Author(s):  
Hiroto Tachikawa ◽  
Hiroshi Kawabata
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Electronic States ◽  
Density Functional Theory Study ◽  
Radical Ions ◽  
Trans Form ◽  
Functional Theory

scholarly journals Density functional theory study on the atomic structure and electronic states of Cu(100) (2×22)R45°-O surface

2005 ◽  
Vol 54 (11) ◽  
pp. 5350
Author(s):  
Cai Jian-Qiu ◽  
Tao Xiang-Ming ◽  
Chen Wen-Bin ◽  
Zhao Xin-Xin ◽  
Tan Ming-Qiu
Keyword(s):  
Density Functional Theory ◽  
Atomic Structure ◽  
Density Functional ◽  
Electronic States ◽  
Density Functional Theory Study ◽  
Functional Theory

Structures and Electronic States of Water Molecules on Graphene Surface: A Density Functional Theory Study

2010 ◽  
Vol 49 (6) ◽  
pp. 06GJ13 ◽  
Author(s):  
Shigeaki Abe ◽  
Yoshinori Nagoya ◽  
Fumio Watari ◽  
Hiroto Tachikawa
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Electronic States ◽  
Water Molecules ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Graphene Surface

Time-dependent density functional theory study of the electronic states of BI

2003 ◽  
Vol 36 (11) ◽  
pp. 2283-2290 ◽  
Author(s):  
Xinzheng Yang ◽  
Meirong Lin ◽  
Wenli Zou ◽  
Baozheng Zhang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Electronic States ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dependent Density

The electronic structures of all trans form of permethyl-oligosilane radical cation with longer chain: A density functional theory study

2006 ◽  
Vol 691 (26) ◽  
pp. 5525-5530 ◽  
Author(s):  
Hiroshi Kawabata ◽  
Shigekazu Ohmori ◽  
Kazumi Matsushige ◽  
Hiroto Tachikawa
Keyword(s):  
Density Functional Theory ◽  
Radical Cation ◽  
Electronic Structures ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Trans Form ◽  
Functional Theory

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

2010 ◽  
Vol 31 (1) ◽  
pp. 49-55
Author(s):  
Zhanhong CHEN ◽  
Kaining DING ◽  
Xianglan XU ◽  
Junqian LI
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory
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