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Computers and Applied Chemistry
FQ: 月刊
AD of Publication: 北京市
Lanuage: 中文;
ISSN: 1001-4160
CN: 11-3763/TP
YP: 1984
Url: 中国科学院过程工程研究所
Recommended Journals
Computers and Applied Chemistry
2010 -06
Catalog
Development of the protein virtual mutagenesis software for the site-directed and saturation mutagenesis Yu Jincong~1 and Fang Baishan~(1,2*) (1.The Key Laboratory for Industrial Biotechnology of Fujian Higher Education(Huaqiao University),Xiamen,361021,Fujian, China;2.Department of Chemical and Biochemical Engineering,College of Chemistry and Chemical Engineering,Xiamen University,Xiamen,361005,Fujian,China)
The local states density and band structure of diamond and graphite studied by first principles molecular dynamics Wang Lili,Wan Qiang,Hu Wenjun and Zhao Xiaoping (1.China Academy of Engineering Physics,Computer Application Institute,Mianyang,621900,Sichuan,China; 2.China Academy of Engineering Physics,Structure Mechanics Institute,Mianyang,621900,Sichuan,China.)
Predicting protein-protein interaction site based on auto-correlation function Chen Wei,Cheng Yongmei,Yang Huifang and Zhang Shaowu (College of Automation,Northwestern Polytechnical University,Xi'an,710072,Shanxi,China)
Progress in peptide-protein docking Qi Xingbao,Zheng Heng~* and Fang Huisheng~* (College of Life Science and Technology,China Pharmaceutical University,Nanjing,210009,Jiangsu,China)
Spectroscopic parameters and potential energy function of the ground state of VO(X~4Σ~-) Wei Hongyuan,Hu Rui,Liu Guoping and Luo Shunzhong~* (Institute of Nuclear Physics and Chemistry,Chinese Academy of Engineering Physics,Mianyang,621900,Sichuan,China)
Correlation-based feature selection in QSAR studies of the paralytic shellfish poisoning toxins(PSP toxins) Diao Ning~1,Zhang Yongqing~(1,2*) and Yi Xiaoyun~(1,2*) (1.College of Environmental Science and Engineering,South China University of Technology,Guangzhou,510006, Guangdong,China;2.The Key Lab of Pollution Control and Ecosystem Restoration in Industry Clusters,Ministry of Education, Guangzhou,510006,Guangdong,China)
Thermostability study of cyclodextrin glycosyltransferase Fu Yi~1,Ding Yanrui~1 and Xu Wenbo~1 (School of Information Technology,Jiangnan University,Wuxi,214122,Jiangsu,China)
Application of constrain-based method in Escherichia coli metabolic network core model Ding Dewu~(1*),He Xiaoqing~2,Lu Kezhong~1,Wu Pu~1 and Peng Xiufen~1 (1.Department of Mathematics and Computer Science,Chizhou College,Chizhou,247000,Anhui,China;2.Department of Environmental Science,Chizhou College,Chizhou,247000,Anhui,China)
The effect of substituents on the second-order nonlinear optical properties of binaphthyl bridged chiral bis-porphyrins Ying Xiao~1,Tang Anmin~1,Wang Xiaochun~1,Fan Suqin~1 and Liu Haiyang~(2,*) (1.Department of Applied Physics,South China University of Technology,Guangzhou,510641,Guangdong,China; 2.Department of Chemistry,South China University of Technology,Guangzhou,510641,Guangdong,China)
Parallel chemical substructure searching of large scale chemical database on PC cluster Jing Yinling~(1,2),Li Xiaoxia~(1*),Yuan Xiaolong~1 and Guo Li~1 (1.State Key Laboratory of Multi-Phase Complex Systems,Institute of Process Engineering,Chinese Academy of Sciences,Beijing, 100190,China;2.Graduate University of Chinese Academy of Sciences,Beijing,100049,China)
Force field study of adsorption of CO_2 in LTA and FAU zeolites Huang Yanfang~(1,2),Ma Zhengfei~1,Liu Xiaoqin~1 and Yao Huqing~1 (1.State Key Laboratory of Materials-oriented Chemical Engineering,Nanjing University of Technology,Nanjing,210009, Jiangsu,China; 2.Department of Chemical Engineering,Nantong Vocational College,Nantong,226007,Jiangsu,China)
Theoretical studies on the halogen bond between pyrrole and dihalogen molecules Zhao Ying~1,Guo Tao~3,Mo Lixin~2 and Meng Lingpeng~2 (1.Hebei Key Laboratory of Bioinorganic Chemistry,College of Sciences,Agricultural University of Hebei,Baoding,071001,Hebei, China;2.Institute of Computational Quantum Chemistry,College of Chemistry and Material Sciences,Hebei Normal University, Shijiazhuang,050016,Hebei,China;3.College of Information Sciences,Agricultural University of Hebei,Baoding,071001, Hebei,China;)
Study on aqueous reflux in the acetic acid dehydration distillation column Huang Dingwei and LI Shaojun~* (Institute of Automation,East China University of Science and Technology,Shanghai,200237,China)
Monte Carlo simulation of oxygen removal in FT synthesis Tian Lei~1,Xu Yuanyuan~1,Xiang Hongwei~1 and Li Yongwan~1 (1.State Key Laboratory of Coal Conversion,Institute of Coal Chemistry,Chinese Academy of Sciences,Taiyuan,030001, Shanxi,China; 2.Graduate University of Chinese Academy of Sciences,Beijing,100039,China)
Exergy analysis of methane-propylene binary refrigeration system of ethylene plant Zhao Lu~1,Zhang Wei~2,Xu Xinru~(1*),Yang Jingyi~1 and Zhao Xiaojun~1 (1.Institute of Petroleum Processing,College of Chemical Engineering,East China University of Science and Technology, Shanghai,200237,China;2.The Chemical Engineering Department of SINOPEC,Beijing,100031,China)
Process sustainability assessment based on exergy life cycle analysis Zhou Meiling~1,Jia Xiaoping~(1*),Xiang Shuguang~1 and Qian Yu~2 (1.Institute for Petroleum and Chemical Industry,Qingdao University Science & Technology,Qingdao,266042,Shandong,China; 2.Guangdong Provincial Laboratory of Green Chemical Technology,School of Chemistry and Chemical Engineering,South China University of Technology,Guangzhou,510640,Guangdong,China)
Energy band structure calculation on haloid substitute influence of derivatives of Dichlorido(4,5-diazafluoren-9-one-N,N)Palladium(Ⅱ) Huang Min,Chen Jian,Guo Zerong and Xu Zhiguang~* (School of Chemistry and Environment,South China Normal University,Guangzhou,510006,Guangdong,China)
The application of adaptively adjustment partical swarm optimization algrithm in catalyzing & & cracking fractionating tower Liu Rong~1 and Lv Cuiying~2 (1.School of Science,South China University of Technology,Guangzhou,510640,Guangdong,China; 2.School of Science,South China University of technology,Guangzhou,510640,Guangdong,China)
Development and application of foam drainage gas production process software Zhang Xinzhuang~1,Li Wenhong~(1*),Li Junyuan~1,Fan Zheng~1,Zhang Yaogang~2 and Li Zhi~2 (1.College of Chemical Engineering,Northwest University,Xi'an,710069,Shaan'xi,China; 2.The First Gas Plant,Changqing Oilfield,Yulin,718500,Shaan'xi,China)
Using simple average ensemble modelling to the quantitative analysis of 4th analytes in cut tobacco samples Kong Haohui~1,Chen Zhiying~1,Bai Wenliang~2,Li Hongru~2 and Gan Feng~(2*) (1.Technology Centre,China Tobacco Guangdong Industrial Limited Corporation,Guangzhou,510145,Guangdong, China; 2.School of Chemistry and Chemical Engineering,Sun Yat-sen University,Guangzhou,510275,Guangdong,China)
DFT study on substituted aromatic compounds' caused acute toxicities to on Daphnia Magna Straus Zhang Jingping,Liu Tianbao~*,Wu Guozhi and Wu Xinmin (Department of Chemistry and Food Science,Chizhou College,Chizhou,247000,Anhui,China)
Concept design and optimization by Aspen Plus for extractive distillation Zhu Denglei,Tan Chao and Ren Genkuan (Department of Chemistry and Chemical Engineering,Yibin University,Yibin,644007,Sichuan,China)
Synthesis of ultra-fine PbWO_4 by soft template method Du Licheng~(1*),Zou Yuanlin~2 and Song Kaiping~2 (1.Analysis and Testing Center,Southwest University of Science and Technology,Mianyang,621010,Sichuan,China; 2.College of Materials Science and Engineering,Southwest University of Science and Technology,Mianyang,621010, Sichuan,China)
Theoretical studies on optical and electronic properties of conjugated polymer photovoltaic materials based on Benzo[1,2-b:4,5-b′]dithiophene Peng Yueming,Wang Xueye~*,Wang Nuanqing,Zheng Xiaoyan and Zhang Ying (Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education,College of Chemistry,Xiangtan University,Xiangtan,411105,Hunan,China)
Three dimensional quantitative structure activity relationship of biphenyl amide p38αMAPK inhibitors Wu Xiaoyun,Zhang Jiajie and Wan Shanhe (School of Pharmaceutical Sciences,Southern Medical University,Guangzhou,510515,Guangdong,China)
Investigation on the interaction of the extract components of Radix Scutella-riaeRS with BSA Wang Xinhong and Dai Jingtao (Jiangsu Provincial Key Laboratory of Coastal Wetland Bioresources and Environmental Potection,College of Chemistry and Chemical Engineering,Yancheng teachers Normal University,Yancheng,224053,Jiangsu,China)
Implementation of the simulation experiments of pump performance based on VBA virtual models Peng Xiaoping~(1*) and Yan Qing~2 (1.Department of Chemistry,Shangrao Normal University,Shangrao,334001,Jiangxi,China; 2.Department of Mathematics and Computer,Shangrao Normal University,Shangrao,334001,Jiangxi,China)
Smith predictor based sliding mode control with integral type switching gain Zhao Dongya~1,Zou Tao~2,Wang Zhiping~3 and He Xiongxiong~2 (1.College of Mechanical and Electronic Engineering,China University of Petroleum,Dongying,257061,Shandong,China; 2.College of Information Engineering,Zhejiang University of Technology,Hangzhou,310023,Zhejiang,China; 3.Sinopec Luoyang Branch,Luoyang,471000,Henan,China)
A control method of dissolved oxygen in sewage treatment based on Fuzzy PID-Smith Wang Xiaoyi,Li Wandong,Liu Zaiwen,Xie Dengyu and Gou Xixi (School of Computer and Information Engineering,Beijing Technology and Business University,Beijing,100048,China)
Simulation and application of filter pool invariable water level automatic control system Cao Yubo,Yang Ying and Gao Weiping~* (Jilin Institute of Chemical Technology,Jilin,132022,Jilin,China)
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