Journal of Atomic and Molecular Physics 2014 Issue 3 Theoreticalinvestigation on the mechanism of the deamination of cyclohexylamine catalyzed by cytochrome P450

Theoreticalinvestigation on the mechanism of the deamination of cyclohexylamine catalyzed by cytochrome P450
LI Chao-Zheng;,LIU Yu-Fang;,ZHANG Xiao-Qian;

..............page:343-349

Hydrogen bond transfer and proton transfer of dihyrated alanine complexes
MENG Xiang-Jun;

..............page:350-354

Theoretic study on hydrolysis mechanism of 8-oxo-2'-deoxyguanosine
LIANG Xaio-Qin;,YOU Yong;,ZHENG Yan;

..............page:355-363

Structures and analytic potential energy functions for ground state of Lin(n =2, 3) molecules
LU Jun-Zhe;,ZHU Heng-Jiang;

..............page:364-370

Theoretical study of spectroscopic constants and anharmonic force field of PO2 free radical
QI Chong-Hai;,WANG Mei-Shan;,XU Qiang;,YANG Chuan-Lu;

..............page:371-376

3D-QSAR studies of the quantitative structure activity relationship for phenylethylthiazolylthiourea of anti-HIV drug using random sampling analysis on molecular surface
CHANG Jia;,TONG Jian-Bo;,ZHAO Xiang;,ZHONG Li;

..............page:377-384

A density functional investigation of Nb2Sin-(n=1～6) clusters
CHEN Yong-Zhuang;,GUO Ping;,HOU Ru;,LI Shu-Ting;,REN Zhao-Yu;,ZHANG Ji-Liang;

..............page:385-392

Modelling structural changes of a Cu87 cluster on heating and quenching at atomic scale
ZHANG Lin;,ZOU Zhuang-Hui;

..............page:393-397

Simulation study of the effets of various cooling rates on evolution properties of micro-cluster structure during solidification processes of liquid metal Cu
BU Shou-Liang;,CHEN Shu-Han;,CHEN Si-Kai;,YI Xue-Hua;,ZHONG Qing-Hu;

..............page:398-406

Density functional theory study of geometries and stabilities of GanZn(n =1 ～ 7) clusters
HE De-Chun;

..............page:407-413

Theoretical study of adsorption of H2 on Li-doped Al7C+ cluster
CHEN Hong-Shan;,LI Fei;,MA Zhan-Lin;,QIN Yan-Jun;,YANG Hui-Hui;

..............page:414-418

First-principles study of the protection of pyrrolidone towards Aun(n =2-10) clusters
GAO Yan-Rong;,YANG Ming-Li;,YU Sheng-Ping;,ZHAO Zhi-Gang;

..............page:419-423

Theoretical interpretation of the experiment on collision-induced rotational energy transfer in CN(X2Ⅱ) system
JU Li-Ping;,LI Jian;,MA Feng-Cai;,WANG Wei-Li;

..............page:424-430

Theoretical exploration of the molecular high-order harmonic yields of H2+/HD+ ions
MIAO Xiang-Yang;,PEI Ya-Nan;

..............page:431-435

Time-dependent dynamic deformation of sapphire single crystal
CAO Xiu-Xia;,LI Jia-Bo;,LI Xu-Hai;,ZHOU Xian-Ming;

..............page:436-442

Influence of initial velocity of ion on plasma sheath thickness under Compton scattering
HAO Dong-Shan;,LIU Jing-Tian;

..............page:443-446

The temporal evolution study of laser induced air plasma spectra
XU He;,YUAN Ping;

..............page:447-453

Simulation study on the anisotropy of thermal expansion for crystalline 1, 1-diamino-2, 2-dinitroethene
QIAN Wen;,SHU Yuan-Jie;,XIONG Ying;,ZHANG Chao-Yang;,ZHANG Wei-Bin;,ZONG He-Hou;

..............page:454-462

Investigations of the atomic structure and electronic states for Ni atatom adsorption on Al(111) surface using first-principles
GAO Jing-Xia;,ZHANG Jin-Ping;,ZHANG Yang-Yang;,ZHU Xiao-Ling;

..............page:463-469

First-principles study on the effects of co-segregation of Al, Cr on the cohesion of the α-Fe grain boundary
DANG Sui-Hu;,HAN Pei-De;,LI Chun-Xia;

..............page:470-474

Electronic structure and mechanical properties of 2H-PbI2
DING Ying-Chun;,UT Xiao-Qiang;,ZHU Xing-Hua;,ZHU Zan-Ju;

..............page:475-481

Thecrystal structural, electronic and optical properties of a solar energy material: CuInS2
QIAO Qing-Peng;,YU Gong-Qi;,ZHANG Xiang-Dan;,ZHANG Xian-Zhou;

..............page:482-487

Influence of minority carrier recombination velocity and absorber on the performance of HIT solar cell by simulation and analysis
Li Cai-Xia;,REN Rui-Chen;,SHI Dong-Mei;,SHI Li-Bin;,ZHANG Yan-Yan;

..............page:488-494

Influence of the statistical value of phase structure formation factors on the compounds formation in steel
HAN Zi-yu;,LI Wei;,WANG Xiao-Liang;,YANG Shao-Bin;,ZHANG Qin;

..............page:495-499

Molecular dynamics simulations of atomic transport property and structure in Al-based alloys
HUANG Yin-Sheng;,WU Yan-Ning;,ZHANG Kai-Yin;,ZHU Hui;

..............page:500-507

Fully differential cross-sections in single ionization of helium by C6+ impact at intermediate and high collision energies
DUAN Hui-Xiao;,FANG Xiao-Ying;,JIA Xiang-Fu;,SUN Shi-Yan;,ZHANG Rui-Fang;

..............page:508-514

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

..............page:前插1