3.反应数据库(Reaction Databases):包括Organic Synthesis、Compendium of Chiral Auxiliary Applications、ChemReact、ChemSynth等4个数据库,其中Organic Synth...
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The main reason is that the current reaction databases are based on substructure searching which is an approach quite different from that chemists often use.
这主要是由于反应数据库基于结构的检索方法与化学家解决问题的方法相去甚远。
With MCNP/4B code, the influence of cut-off energy, flux tallies, nuclear databases and perturbation on the reaction rates calculation with neutron-activation method are analysed.
用MCNP/4B程序,对核活化法反应计算中的截断能量、通量计数方式、数据库、阈探测器之间的扰动等因素的影响作了分析。
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