Journal of Atomic and Molecular Physics 2011 Issue 1 A first principles study on the mechanism of sulfur poisoning for Pt-based electrode materials

A first principles study on the mechanism of sulfur poisoning for Pt-based electrode materials
SHEN Kai;ZHANG Yan-Xing;WANG Jin-Long;LU Zhan-Sheng;YANG Zong-Xian

..............page:156-160

Nuclear size and mass corrections to the energy levels of hydrogen-like ions of lighter elements and isotopes
LI Yao-Zong;ZHANG Xiao-An

..............page:47-51

Calculation of the perturbed Rydberg energy levels and quantum number defects of SnI in the Weakest bound electron potential model theory
GAO Jiao;ZHANG Guo-Ying;XUE Liu-Ping;CHEN Hui;YANG Guo

..............page:17-22

Protonation of Asp25 of HIV-1 protease stabilizes its binding to the inhibitor GRL02031
YI Chang-Hong;CHEN Jian-Zhong;ZHU Tong;ZHANG Qing-Gang

..............page:11-16

Velocity-controlled entanglement of two atoms
FAN Meng-Hui;CAI Xun-Ming;GONG Lun-Xun

..............page:133-138

Geometries and electronic properties of (AlB2) m (m = 1～ 6) clusters
LIU Li-Ren;LEI Xue-Ling;CHEN Hang;LIU Zhi-Feng;ZHU Heng-Jiang

..............page:59-66

Study on multiphoton ionization mass spectrum of anisole at 355 nm
YANG Jian-Chun;KONG Xiang-He;LIU Ni

..............page:95-100

Chaotic spatiotemporal dynamics of Bose-Einstein condensates in traveling optical lattices
ZHANG Dong-Xia;LI Fei;LI Wen-Bin

..............page:151-155

Density functional theory study on stability of half-metallic ferromagnetism of zinc-blende CrTe and VTe
YAO Zhong-Yu;FU Jun;PAN Meng-Mei;LIU Han-Jun

..............page:183-188

Electronic conductance of C20 fullerene with Li chain electrodes
HUO Xin-Xia;WANG Li-Guang

..............page:36-40

First-principles calculation on the electronic structure and optical properties of CaB6
XIAO Li-Hua;FU Yun-Chang;SU Yu-Chang;ZHANG Peng-Fei;PENG Ping

..............page:176-182

First-Principles calculation on photocatalytic performance of mixed phase nano-TiO2
YI Dan;XUE Wei-Dong;CAI Jun;SU Rong

..............page:167-170

A density functional study of structures and stability of Si2 Cm N clusters
GAI Zhi-Gang;LUO Chong-Tai;CHEN Tao;ZHANG Ping

..............page:73-77

Study of the ground-state geometric structures of bimetallic clusters Fe-Ni with a genetic algorithm
GE Lu-Hui;E Xiao-Liang;DUAN Hai-Ming

..............page:78-86

Theoretical study on Raman spectra of silica nanowires
CAO Juan;ZHANG Zhao-Hui;XU Can

..............page:31-35

yuan zi yu fen zi wu li xue bao zheng gao jian ze

..............page:封3

Theoretical studies on spin-vibronic spectra of CH3S (X2E)
ZHANG Shi-Yang;MO Yu-Xiang

..............page:1-5

Spin-orbit ab initio calculation of photodissociation of ethyl iodide
AI Rui-Bo;ZHANG Cun-Hua

..............page:6-10

Theoretical study on charge transport properties of Hexa-Substituted tricycloquinazoline
YANG Fan;HUANG Chu-Rui;NIE Han;LI Quan;ZHAO Ke-Qing

..............page:171-175

Fidelity of quantum state for the one-axis twinsting model and the one-axis twisting with transverse field
LIU Wan-Fang;ZHANG Li-Hua

..............page:122-126

Optimization of Ar atom cluster structure using improved particle swarm optimization algorithm
ZENG Si-Qin;YE Mei-Ying

..............page:52-58

Interface optical phonon modes and electron-phonon interactions in wurtzite GaN/ZnO quantum wells
WANG Tian-Xing;XIA Ya-Bing

..............page:139-144

Laser photolysis study of phenanthrenequione in ethylene glycol homogenous and its TX-100 aqueous micellar solution
XU Xin-Sheng;SHI Lei;LUI Yi;CUI Zhi-Feng

..............page:107-111

The phase transitions, electronic structures and optical properties of Mg2C under pressure:ab initio calculations
YU Fei;ZHOU Yong-Hong;SUN Jiu-Xun

..............page:145-150

Phase qroperties in the system of a tunneling quantum molecule model interacting with a cavity field
ZENG Xiao-Xiang;ZHOU Qing-Chun

..............page:127-132

Isotope effect of He-HCl collisions on the partial wave cross sections in different energies
WANG Xiao-Lu;LINGHU Rong-Feng;WANG Rong-Kai;RUAN Fang-Ming;YANG Xiang-Dong

..............page:87-94

Anisotropic distributions of the fast electron and the spontaneous magnetic field generated during laser interaction with foil targets
CAI Da-Feng;Gu Yu-Qiu;ZHENG Zhi-Jian;ZHOU Wei-Min;JIAO Chun-Ye;WEN Tian-Shu;CHUNYU Shu-Tai

..............page:101-106

Entanglement concentration of the entangled squeezed state by two-level atom interacting with cavity fields
CAI Xin-Hua;PENG Guang-Han;QIAO Nao-Sheng

..............page:117-121

Density function theory study on structure and stability of BmN (m=1 ～ 8) clusters
CAO Xin-Wei;JIANG Zhen-Yi;HOU Yu-Qing;WEI Gao-Feng

..............page:67-72

Effect of next-nearest neighbor hopping on the transport properties of graphene nanoribbons
ZHAO Hua;ZHANG Xiao-Wei;CAI Tuo;LIU Xiao-Chun;SANG Tian

..............page:161-166

Franck-condon simulation of photoelectron spectroscopy of S2O- radical
LIU Yi-Tao;LIANG Jun;CUI Zhi-Feng

..............page:23-30

Quantitative structure activity relationship studies of 5-pheny-l-phenylamino-1H-imidazole of Anti-HIV drug using three-dimensional structure descriptors
TONG Jian-Bo;WANG Ping;LI Yun-Fei;LIU Shu-Ling;MENG Yuan-Liang

..............page:41-46

A properties of excited state of strong-coupling magnetopolaron in an asymmetric quantum dot
WANG Gui-Wen;XIAO Jing-Lin

..............page:112-116