1000-0364
2014 Issue 2
..............page:封3
Franck-condon simulation of photoelectron spectroscopy of DOO-: Including duschinsky effects
JING Jun-Feng;,LI Peng-Fei;,LI Ren-Zhong;,LIANG Jun;,ZHANG Huan-Huan;
JING Jun-Feng;,LI Peng-Fei;,LI Ren-Zhong;,LIANG Jun;,ZHANG Huan-Huan;
..............page:173-180
A theoretical study onmolecular structure and electronic properties of NpFn
DONG Chen-Zhong;,DU Lei-Qiang;,WANG Yong-Cheng;,WU Fang-Xian;
DONG Chen-Zhong;,DU Lei-Qiang;,WANG Yong-Cheng;,WU Fang-Xian;
..............page:181-186
Study on the properties of L1OH molecule under the external electric field
JING Tao;,LIANG Dong-Mei;,WU Xue-Ke;
JING Tao;,LIANG Dong-Mei;,WU Xue-Ke;
..............page:187-191
Structures and potential energy functions of Mg2Ni molecule
HONG Wen Qin;,Hu Ai Rong;,RUAN Wen;
HONG Wen Qin;,Hu Ai Rong;,RUAN Wen;
..............page:192-196
Molecular structure and potential energy function of CH molecule under external electric field
Ruan Wen;,Tu Juan;,WAN Hui-Jun;,WU Dong-Lan;,XIE An-Dong;,ZHANG Xin-Qin;
Ruan Wen;,Tu Juan;,WAN Hui-Jun;,WU Dong-Lan;,XIE An-Dong;,ZHANG Xin-Qin;
..............page:197-201
Dissociation of cyclopropanone molecule and Ion
CUI Jin-Yu;
CUI Jin-Yu;
..............page:202-206
Thethird-order nonlinear optical properties of thiadiazole derivatives
CHEN Zi-Ran;,TAO Guo;,XU You-Hui;,ZHANG Yu-Hong;
CHEN Zi-Ran;,TAO Guo;,XU You-Hui;,ZHANG Yu-Hong;
..............page:207-212
Micro-structure and the spectral properties of taxol C13 side chain
LIU Xin-Ping;,NIE Guan-Hua;,WANG Yang;
LIU Xin-Ping;,NIE Guan-Hua;,WANG Yang;
..............page:213-217
Measurement on the ratio of H2D+ and D2+ in hydrogen mixed gas ion source
FANG Cai-Jing;,LIAO Xue-Hua;,MIAO Jing-Wei;,SHI Mian-Gong;,YUAN Xue-Dong;,ZHU Zhou-Sen;
FANG Cai-Jing;,LIAO Xue-Hua;,MIAO Jing-Wei;,SHI Mian-Gong;,YUAN Xue-Dong;,ZHU Zhou-Sen;
..............page:218-222
Density functional theory study on stability and defect feature of Ga-rich GanAs(n =1～9) clusters
LI En-Ling;,MA De-Ming;,MA You-Heng;,QIAO Hong-Bo;,SHI Wei;
LI En-Ling;,MA De-Ming;,MA You-Heng;,QIAO Hong-Bo;,SHI Wei;
..............page:223-228
Impact on the electronic transmission characteristic and negative differential resistance effects of fullerene C32 by B atom doping
HUO Xin-Xia;,ZHANG Xiu-Mei;
HUO Xin-Xia;,ZHANG Xiu-Mei;
..............page:229-233
Density functional study of the structural and magnetic properties of neutral and charged Al12X (X=Li, Na, K, Rb, Cs) clusters
ABULIZI Abulaiti;,DUAN Hai-Ming;,JIANG Yuan-Yuan;,TUERSUN Rebiguli;
ABULIZI Abulaiti;,DUAN Hai-Ming;,JIANG Yuan-Yuan;,TUERSUN Rebiguli;
..............page:234-240
The structures andaromaticity of Zn, Cd, Hg dianion clusters
GUO Ya-Jing;,LI Xiu-Yan;,LIU Rui-Ping;,YANG Zhi;
GUO Ya-Jing;,LI Xiu-Yan;,LIU Rui-Ping;,YANG Zhi;
..............page:241-248
Electronic structures and spectrum properties of WmCn(m+n≤7) clusters
LI Wei-Jun;,WANG Yang-Yang;,YIN Lin;,YUAN Ai-Hua;,ZHANG Xiu-Rong;
LI Wei-Jun;,WANG Yang-Yang;,YIN Lin;,YUAN Ai-Hua;,ZHANG Xiu-Rong;
..............page:249-259
Theoretical study on electron impact excitation of An51+ 、An50+ and Au49+ ions
DONG Chen-Zhong;,YANG Ning-Xuan;,ZHANG Jian-Jun;
DONG Chen-Zhong;,YANG Ning-Xuan;,ZHANG Jian-Jun;
..............page:260-268
Elastic collision between a bipolaron and a polaron in a conjugated polymer chain
QIU Yu;,SHOU Yuan-Peng;
QIU Yu;,SHOU Yuan-Peng;
..............page:269-273
Theoretical investigation of ionization process for H2+ in chirped laser field
MIAO Xiang-Yang;,ZHANG Cai-Ping;
MIAO Xiang-Yang;,ZHANG Cai-Ping;
..............page:274-278
The single attosecond pulse generated by helium atom exposed to two-color combined laser field
WANG Guo-Li;,ZHANG Zong;,ZHAO Song-Feng;,ZHOU Xiao-Xin;
WANG Guo-Li;,ZHANG Zong;,ZHAO Song-Feng;,ZHOU Xiao-Xin;
..............page:279-284
Atomic force microscopy study of structure and mechanical characteristics of DPPC multilayer
ZHANG Guo-Liang;,ZHAO Xin-Jun;
ZHANG Guo-Liang;,ZHAO Xin-Jun;
..............page:285-291
Adsorption of fixed groups-CN,-NH2,-OH,-COOH and-SH of dye molecules on the ZnO(10(1) 0) Surface
HUANG Zheng;,LI Ru-Hu;,LIU Qi-Jun;,Shen Xiao-Hong;,WANG Hong-Yan;
HUANG Zheng;,LI Ru-Hu;,LIU Qi-Jun;,Shen Xiao-Hong;,WANG Hong-Yan;
..............page:292-298
Impuritydistribution in conjugated polymers:lattice configuration and heavy doping effect
QIU Yu;,WANG Yu;
QIU Yu;,WANG Yu;
..............page:299-304
First-principle studies of AlxCoCrCuFeNi high entropy alloys with the different mole fractions of Al
WANG Lan-Xin;,WEN Bin;,YAO Shan;
WANG Lan-Xin;,WEN Bin;,YAO Shan;
..............page:305-310
Insight into binding mode of inhibitor P4 to MDM2 based on molecular dynamics and alanine mutation calculations
CHEN Jian-Zhong;,DUAN Li-Li;,LIANG Zhi-Qiang;,SHI Shu-Hua;,WANG Wei;,ZHANG Qing-Gang;,ZHANG Shao-Long;
CHEN Jian-Zhong;,DUAN Li-Li;,LIANG Zhi-Qiang;,SHI Shu-Hua;,WANG Wei;,ZHANG Qing-Gang;,ZHANG Shao-Long;
..............page:311-316
The influence of simulation box parameters on molecular dynamics simulation of liquid-vapor system
HE Chuan;,LI Shao-Hua;,SHI Wen;
HE Chuan;,LI Shao-Hua;,SHI Wen;
..............page:317-322
Ab initio calculations of the pathways and magnetic boundaries for the bcc to hcp transition in Fe
LU Tie-Cheng;,LU Zhi-Peng;,ZHU Wen-Jun;
LU Tie-Cheng;,LU Zhi-Peng;,ZHU Wen-Jun;
..............page:323-332
The effect of long-range electronic correlation on polythiophene polaron
CHEN Shao-Bo;,LI Yan-Yu;,ZHAO Hua;
CHEN Shao-Bo;,LI Yan-Yu;,ZHAO Hua;
..............page:333-337
First principle study on geometric structure and electronic structure of β-FeSi2 doped rare earth element La
GUI Fang;,GUO Ben-Hua;,YAN Wan-Jun;,ZHANG Chun-Hong;,ZHANG Zai-Yu;,ZHANG Zhong-Zheng;,ZHOU Shi-Yun;
GUI Fang;,GUO Ben-Hua;,YAN Wan-Jun;,ZHANG Chun-Hong;,ZHANG Zai-Yu;,ZHANG Zhong-Zheng;,ZHOU Shi-Yun;
..............page:338-342