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Tuesday, January 19, 2010

comPutatioNaL cHemistry

Virtual Labs-as another way to say it..so?what was it?

Well,briefly its a new (not so new actually) way of learning and doing experimental works in lab. suitable for person who loves to do dry-lab (oohh..heaven) as compared to those tedious wet-lab jobs. For example, we have reaction of

A + B --> C + D

in usual lab, we will do the experiment of combining (or reacting) A and B that will gives a certain percentage yield of C and D. However, by using a special software (such as Gaussian03) we can now just simply predict the reaction of A and B by just key-in the compound of A and B and the result will be computationally calculated!Hwaa..i just love this madness..

However, the result generated computationally is yet not 100% precise and accurate. Thus, chem computationalist (i know..that's not in dictionary yet :p ) are still exploring this area of studies by using whole lots of compound such as organometallic, phospholipids and other more. This includes studying basis set, theory level, compounds and bla bla...(well, i don't need to memorize all,do i?)..

Well, this might only be the beginning of my blog. But, hopefully this would be as a starter for me to provide more info to myself and anyone in the same area. Why i love this topic? Well, besides the whole idea itself was so cool to me, i really hope that i can someday teach this new subject at my univ of work. It would be so much fun and helpful to my students one day..hopefully..

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