%0 Journal Article
%T 电场作用下金属串配合物［Ru3(dpa)4］L2(L=Cl,C≡N,C≡CPh)结构的理论研究<br>Theoretical Study on the Structures of Metal String Complexes ［Ru_3(dpa)_4］L_2(L=Cl, C≡N, C≡CPh) under the Electric Field
%A 张胜楠
%A 莫小婵
%A 陈彤
%A 周沃华
%A 徐志广
%A 许旋&lt
%A br&gt
%A Zhang Shengnan
%A Mo Xiaochan
%A Chen Tong
%A Zhou Wohua
%A Xu Zhiguang
%A Xu Xuan
%J 华南师范大学学报（自然科学版）
%D 2015
%R 10.6054/j.jscnun.2014.12.019
%X <br>： As a potential molecular wire, metal string complexes ［Ru_3(dpa)_4］L_2(1 L=Cl, 2: C≡N, 3: C≡CPh) under an external electric field along the Ru^6+_3 chain were investigated with the density functional theory at BP86 level and the Natural Bond Orbital The
%K 金属串配合物
%K 密度泛函理论
%K 电场
%K Ru^6+_3离域多重键
%K 分子导线
%K &lt
%K br&gt
%K metal string complexes
%K density functional theory
%K electric field
%K delocalized multiple bonds
%K molecular wire
%U http://journal.scnu.edu.cn:8080/jwk_xbzrb/CN/abstract/abstract3445.shtml