COMPUTERS AND APPLIED CHEMISTRY: Computer Aided Molecular and Material Design. 1992—1993

圖書目錄

CONTENT
An Interface“Virtual Production Line”for Material Design Schuichi Iwata
Molecular Structure and Computer-Aided Design David A.Winkler
DARC System:Data and Knowledge Interplay—Data and Material CAD Correlations and Predictions Jacques-Emile Dubois
The Issues of Information Modeling Yuzuru Fujiwara
Computer-Aided Design of Organometallic Compounds:A Semi-empirical Approach of their Structure and Reactivity J.Weber et al.
Computer-Aided Screening Agricultural Chemicals(CASAC)—A Software Tool Supporting SAR/QSAR and CAMD Studies Jiaju Zhou et al.
QSAR Study on the Inhibition to Eschericha Coli Dihydrofolate Reductase by 5-substituted-2,4-diamino Pyrimidines Renli Li et al.
CISOC-SARSS-Application to Rational Design of Organic Solvent Extractants Shengang Yuan et al.
Developments of New Topological Indices for QSAR/QSPR Studies Lu Xu et al.
Quantum Chemical Parameters in Quantitative Structure-Activity Relationship Study Qian Xie et al.
Dissociation Approach of Chemical Structure and Its Application to Group Contribution Dunming Sun et al.
Study on Active Conformations of Sulfonylurea Herbicides Bo Yan et al.
The Quantitative Prediction of Chemical Physical Properties with Neural Networks Danfeng Kan et al.
A New Computer Representation of Chemical Structure,Two Level Compact Connectivity Tables(TLCCT) Wentang Cheng et al.
On Approaches to Computer-Aided Design of Catalysts Shunxiang Zhou et al.
Study on the Conformations,Electronic Properties and Bio-activity of Sulfonylurea Herbicides Based on Molecular Orbital Calcula
NKDORS-A Database of Organic Reactions for Synthesis Shaofan Lin et al.
A Thermodynamic Approach to Equilibrium Properties of the Nonstoichiometric Vanadium-sulfur System Ping Li et al.
List of Second ChIN Participants

COMPUTERS AND APPLIED CHEMISTRY: Computer Aided Molecular and Material Design. 1992—1993

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