A calculated approach

Odile Eisenstein

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A calculated approach

机译：一种计算方法

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I studied physics and chemistry, but it turned out that I wasn't very good at physics. So I registered in chemical physics where I had two outstanding professors. One taught a very modern topic at the time, called the Woodward-Hoffmann rules. I thought that this was so good that I had to work with Hoffmann. I became a postdoc with him a couple of years after my PhD with Nguyen T. Anh and L. Salem. I work on catalysis. In general, transition metal chemistry, structure and reactivity, which helps to understand mechanisms. I am not working on a specific type of catalyst. I am interested in anything where I can try to solve the mechanisms with a computational approach. This covers any transition metal and even lanthanides and actinides. I have no prejudice or preference for any element!

机译：我研究了物理和化学，但事实证明我不太擅长物理。因此，我在化学物理学专业注册，那里有两位杰出的教授。一个人当时讲了一个非常现代的话题，叫做伍德沃德-霍夫曼规则。我认为这太好了，以至于我不得不和霍夫曼一起工作。在获得Nguyen T. Anh和L. Salem博士学位之后的几年，我和他成为了一名博士后。我从事催化工作。通常，过渡金属的化学，结构和反应性有助于理解机理。我不在研究特定类型的催化剂。我对可以尝试使用计算方法解决机制的任何事物都感兴趣。这涵盖了任何过渡金属，甚至包括镧系元素和act系元素。我对任何元素都没有偏见或偏爱！

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《Dalton transactions: An international journal of inorganic chemistry》 |2007年第43期|共1页
作者
Odile Eisenstein;
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7. Table 3.6.c.1 Correlation between JPS T factors and declared UICC T factors Table 3.6.c.2 Correlation between JPS N factors and declared UICC N factors Table 3.6.c.3 Correlation between JPS M and declared UICC M factors Table 3.6.c.4 Correlation between JPS Stage and declared UICC Stage Table 3.6.c.5 Correlation between JPS T factors and calculated UICC T factors Table 3.6.c.6 Correlation between JPS N factors and calculated UICC N factors Table 3.6.c.7 Correlation between JPS M and calculated UICC M factors Table 3.6.c.8 Correlation between JPS Stage and calculated UICC Stage [O] . 2007

机译：表3.6.c.1 JPS T因子与宣布的UICC T因子之间的相关性表3.6.c.2 JPS N因子之间的相关性和声明的UICC N因子表3.6.c.3 JPS M与声明之间的相关性UICC M因素表3.6.c.4 JPS阶段与声明的UICC阶段之间的相关性表3.6.c.5 JPS T因子之间的相关性和计算的UICC T因子表3.6.c.6 JPS N因子之间的相关性并计算UICC N因子表3.6.c.7 JPS M和计算的UICC M因子之间的相关性表3.6.c.8 JPS阶段与计算的UICC阶段之间的相关性

A calculated approach

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