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Computers and Applied Chemistry
1001-4160
2011 Issue 3
Estimation of pH values in CO2-H2O system and its application
Gao Ge;Jiang Jingyang
..............page:359-362
Molecular simulation studies on isomerization of CHH and CHC carbonium ions of protonated n-hexadecane
Tao Haiqiao;Long Jun;Zhou Han;Xie Chaogang;Dai Zhenyu;Wei Xiaoli
..............page:347-350
Construction of evolutionary tree of cytochrome c based on the DTW distance algorithm
Bai Fenglan;Li Ying;Liu Liwei
..............page:317-319
A density functional theoretical study of the reaction between 2-(4-methoxyphenyl) hydrazono acetic acid and oxoacetic acid
Liu Xuyuan;Xu Weiren;Wang Runling;Chen Chenglung;Hu Xiao;Cheng Xianchao;Tang Lida
..............page:257-260
Simulated calculation on the absorber in natural gas TEG dehydration system
Xie Shusheng;Xu Xinru;Yang Jingyi;Zhao Xiaojun
..............page:343-346
Theoretical investigation on the electronic stuructures and properties of bicyclic nonclassical thiophenes
Fu Yangwu;Chen Mingjun;Liang Kezhong;Qi Junsheng
..............page:295-299
Difference of near-infrared absorption of main components in plant fibers
Wu Xinsheng;Xie Yimin
..............page:279-282
Alkyl aryl sulfonate interface properties of molecular dynamics simulation
Ding Wei;Shi Peng;Yu Tao;Liu Hongbin;Cheng Jiecheng;Wu Junzheng
..............page:333-337
Theoretical research on interaction modes of leflunomide analogues DHODH inhibitors
Li Shunlai;Wang Xinlei;Du Hongguang
..............page:325-328
The study on the determination of storage eating quality of rice by near-infrared spectroscopy
Lin Jiayong;Fan Weiyan;Cui Lijing;Lu Hui
..............page:283-287
Synthesis, structure and quantum chemistry of copper complex [Cu(AFO)2]2(SO4)
Zhang Zhijian;Kuang Daizhi;Zhang Fuxing;Wang Jianqiu
..............page:300-302
Performance monitoring of model predictive controller based on historical benchmark
Zhang Rongjin;Zhang Quanling
..............page:275-278
CAD software design and development for dyeing process optimization
Wang Lan;Luo Xukun
..............page:367-370
Simulation of copper extraction in hollow fiber supported liquid membrane
Fan Rui;Liu Junteng;Ren Zhongqi;Sun Wei
..............page:356-358
Study on the new construction mode of 3D multi-function dynamical GC virtual laboratory
Ma Wei;Zhang Yongce;Fang Li;Kang Yiyou;Liu Zhiguang
..............page:371-376
Research on structure and function of metabolic network based on complex network
Ding Dewu;Huang Haisheng;Lu Kezhong;He Xiaoqing;Ji Bojing
..............page:377-380
First-principles study of C-doped anatase TiO2
Shi Weimei;Chen Qifeng;Xu Yao;Wu Dong;Huo Chunfang
..............page:270-274
Design and development of virtual plant system of simulation for security
Wang Junjie;Cai Zhicong;Zhu Qunxiong
..............page:338-342
Study on the interaction of diacetylmonoxime and bovine serum albumin
Zhou Xiangchun;Chen Yousheng
..............page:320-324
Discriminant analysis of three different origin rehmanniae using NIR
Bai Yan;Li Wenxia;Xie Caixia;Chen Zhihong
..............page:311-313
Multi-relaxation-time lattice Boltzmann method implemented on GPU
Zhang Yun;Wang Xiaowei;Ge Wei;Yang Chaohe
..............page:265-269
Methanol gasoline quantitative analysis based on NIR spectroscopy
Dan Tunan;Dai Liankui
..............page:329-332
Conformational analysis of X-CH2-CH2-X(X=H, CH3, OH, NH2, SH, F, Cl, Br, I)by density functional theory
Tong Yan;Li Xiaofei;Wang Zhenxu;Li Yuxian
..............page:314-316
Study on eucommia pinoresinol diglucoside contents by NIR spectroscopy
Chang Jing;Tang Yanlin;Xu Jing
..............page:288-290