Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with B3LYP Density-Functional Theory (DFT) and ab Initio Second Order Møller-Plesset Perturbation Theory (MP2) Calculations
نویسندگان
چکیده
Center for Drug DiscoVery & Design, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, 294 Taiyuan Road, Shanghai 200031, P. R. China, Chemical Process & Biotechnology Department, Singapore Polytechnic, 500 DoVer Road, Singapore 139651, Department of Neurobiology, Weizmann Institute of Science, 76100 RehoVot, Israel, and Department of Structural Biology, Weizmann Institute of Science, 76100 RehoVot, Israel
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تاریخ انتشار 2000