1000-0364
2014 Issue 1
Ab initio study of spectroscopic constants and the anharmonic forcefiled of NeNO
SUN Yue-Qiang;,WANG Mei-Shan;,ZHU Zi-Liang;
SUN Yue-Qiang;,WANG Mei-Shan;,ZHU Zi-Liang;
..............page:1-5
Structure and analytic potential energy functions for ground state of Bn(n=2,3) molecular
LIU Li-Ren;,LU Jun-Zhe;,WEI Jie;,ZHU Heng-Jiang;
LIU Li-Ren;,LU Jun-Zhe;,WEI Jie;,ZHU Heng-Jiang;
..............page:6-14
Charge transport and third-order nonlinear optical properties of triphenylene derivative molecules substituted with ester and pridine functional groups
LI Quan;,YANG Qiong-Fen;,ZHAO Ke-Qing;
LI Quan;,YANG Qiong-Fen;,ZHAO Ke-Qing;
..............page:15-20
Variational studies of potential energy function for the electronic state A2Ⅱ of AlH+
IAP Bi-Tao;,LIU Guo-Yue;,WU Ying;
IAP Bi-Tao;,LIU Guo-Yue;,WU Ying;
..............page:21-25
Impact on the electronic transmission characteristic and negative differential resistance effects of fullerene C50 by Mg and Na atom inserted
CHEN Lei;,HUO Xin-Xia;,ZHANG Xiu-Mei;
CHEN Lei;,HUO Xin-Xia;,ZHANG Xiu-Mei;
..............page:26-30
Quantum chemical study on the fluorescence spectra of three kinds of β-mercaptoethylamine Schiff base molecules
LI Wei;,LIU Zhen;,YUAN Shuai;,ZHANG Yu-Zhe;
LI Wei;,LIU Zhen;,YUAN Shuai;,ZHANG Yu-Zhe;
..............page:31-36
Approximate analytical solutions of arbitrary l-wave bound states for the ring-shaped-like Hulthén potential
CHEN Chang-Yuan;,LU Fa-Lin;,YOU Yuan;
CHEN Chang-Yuan;,LU Fa-Lin;,YOU Yuan;
..............page:37-44
MRCI calculations for the excited states of SiH molecule
ZHANG Shu-Dong;,ZHANG Xi;
ZHANG Shu-Dong;,ZHANG Xi;
..............page:45-49
Research progress of hydrogen clusters and their applications
cao mao qi ;, dan xiao bin ;, li yu quan ;, liu fu zuo ;, sheng liu si ;, wang zhen ya ;, xie yang ;, zhang qiang ;, zhao yu jie ;
cao mao qi ;, dan xiao bin ;, li yu quan ;, liu fu zuo ;, sheng liu si ;, wang zhen ya ;, xie yang ;, zhang qiang ;, zhao yu jie ;
..............page:50-56
Structures and magnetic properties of Pdn(n =1～9) clusters: first-principles calculation
LI Dong-Ming;,WANG Xiao-Qing;,WEN Jun-Qing;,YAO Pai;
LI Dong-Ming;,WANG Xiao-Qing;,WEN Jun-Qing;,YAO Pai;
..............page:57-65
Ab initio study on the aromaticity of all-metallic anion La42-
CHI Xian-Xing;,HU Jun;,HUANG Xiao-Ming;,LIU Yong;,LUO Ya-Wen;,QI Hong-Yan;
CHI Xian-Xing;,HU Jun;,HUANG Xiao-Ming;,LIU Yong;,LUO Ya-Wen;,QI Hong-Yan;
..............page:66-70
Density functional theory study of AunLa(n=1 ～ 8) clusters
LI Jing;,SHENG Yong;,ZHANG Jian-Ting;
LI Jing;,SHENG Yong;,ZHANG Jian-Ting;
..............page:71-78
Density functional theory study of the structures and electronic properties of Nin, Nin±(n=1 ～ 5) clusters
CHEN Chu;,LIU-Dong Dong;,ZHANG Bei;,ZHANG Jun;
CHEN Chu;,LIU-Dong Dong;,ZHANG Bei;,ZHANG Jun;
..............page:79-84
The multiple excitation of Xe L, M shell electrons by the impact of 7.0 MeV Xe30+ ions on Au target
LI Yao-Zong;,LIANG Chang-Hui;,ZHANG Xiao-An;,ZHAO Yong-Tao;
LI Yao-Zong;,LIANG Chang-Hui;,ZHANG Xiao-An;,ZHAO Yong-Tao;
..............page:85-89
Internalfield of a spherical particle at resonant conditions
GAO Shan-Shan;,LEI Cheng-Xin;,LIU Wan-Qiang;,SUN Xian-Ming;,WANG Hai-Hua;
GAO Shan-Shan;,LEI Cheng-Xin;,LIU Wan-Qiang;,SUN Xian-Ming;,WANG Hai-Hua;
..............page:90-93
..............page:94-99
..............page:封3
Vortex dynamics and quantum chaotic trajectories inweakly interacting Bose-Einstein condensation
CHONG Gui-Shu;
CHONG Gui-Shu;
..............page:100-111
Theoretical exploration of the isotopic effect on the generations of the molecular high-order harmonics
HAN Jing;,MIAO Xiang-Yang;
HAN Jing;,MIAO Xiang-Yang;
..............page:112-116
First-principles study on the boron-phosphorus doping small diameter carbon nanotubes
LUO Fu-Sheng;,SHAO Cai-Ru;,SHAO Qing-Yi;,XIA Jiang;,ZHOU Bao-Yan;
LUO Fu-Sheng;,SHAO Cai-Ru;,SHAO Qing-Yi;,XIA Jiang;,ZHOU Bao-Yan;
..............page:117-121
The regulation of the dual external field on the Joule-Thomson effect of Fermi gas
HUANG Chao-Jun;,LONG Shu-Ming;,LOU Ben-Zhuo;,SUN Yan-Qing;
HUANG Chao-Jun;,LONG Shu-Ming;,LOU Ben-Zhuo;,SUN Yan-Qing;
..............page:122-127
Differential conductance of electrons passing through a quantum dot
CAO Yan-Hua;,CHEN Ming-Lun;,GOU Qing-Dong;,LIANG Gan;,LIU Yu-An;,WANG Li-Sheng;,ZHOU Yun-Zhi;
CAO Yan-Hua;,CHEN Ming-Lun;,GOU Qing-Dong;,LIANG Gan;,LIU Yu-An;,WANG Li-Sheng;,ZHOU Yun-Zhi;
..............page:128-132
Electronic structures and optical properties of Ga-doped in ZnS
CHEN Gui-Bin;,CUI Yuan-Shun;,LI Jian-Hua;
CHEN Gui-Bin;,CUI Yuan-Shun;,LI Jian-Hua;
..............page:133-139
Thermal conductivity of shocked LiF single crystal measurement by liquid sandwich method
LI Jia-Bo;,LI Jun;,ZENG Xiao-Long;,ZHAO Wan-Guang;,ZHOU Xuan-Ming;
LI Jia-Bo;,LI Jun;,ZENG Xiao-Long;,ZHAO Wan-Guang;,ZHOU Xuan-Ming;
..............page:140-148
A theoretical study of structure stability, electronic and mechanical properties of TaC and Ta2C
HUANG Xiao-Fen;,JIAO Zhao-Yong;,MA Shu-Hong;,ZHANG Xian-Zhou;
HUANG Xiao-Fen;,JIAO Zhao-Yong;,MA Shu-Hong;,ZHANG Xian-Zhou;
..............page:149-154
Electronic structural, magnetic properties and anti ferromagnetic-ferromagnetic phase transition of Heusler alloy Cu1-xFexMnSb
FU Yun;,GAO Qin-Xiang;,YANG Xiu-De;
FU Yun;,GAO Qin-Xiang;,YANG Xiu-De;
..............page:155-160
Densityfunctional theory study of HCOOH adsorption on Pd-Fe(111)(nPd ∶ nFe=1 ∶ 1) surfaces
HU Wu-Hong;,XU Bo-Hua;,XU Jian-Hua;,ZHANG Fu-Lan;
HU Wu-Hong;,XU Bo-Hua;,XU Jian-Hua;,ZHANG Fu-Lan;
..............page:161-166
First principle calculation of optical-electrical characteristics of Ti-doped CrSi2
WEI Hui-Min;,XIE Quan;,YAN Wan-Jun;,ZHANG Chun-Hong;,ZHOU Shi-Yun;
WEI Hui-Min;,XIE Quan;,YAN Wan-Jun;,ZHANG Chun-Hong;,ZHOU Shi-Yun;
..............page:167-172