Computational chemistry
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Post a project like this€7(approx. $8)
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graphics design | video animation | 2D Animation Video |Whiteboard animation |Motion Graphics |Voiceover
Kimhae
230665433531483879443799404382608738305645
Description
Experience Level: Entry
This is a project of computational chemistry where different reactants, adducts, transition states,s and product adducts need to be optimized by using the basis set LANL2DZ, DFT, and B3YLP. I am attaching the pdf file which would be very helpful to proceed with such optimization of the gold 1 Monocarbene complex with different proteins (amino acids) mentioned in the article. This project needs to be done by using Gaussview 6.1 and gaussian Windows. I also need the pictures of the run for each molecule optimization because I have to make a presentation on it as well .And calculate the forward and backward reactions for each . I want this project within a week. Optimize each protein mentioned in the article , then optimize the adducts of each protein , the transition state, product and then each optimize each product adducts. Remember the basis set needs to be LANL2DZ everytime
Zari C.
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4 May 2024
United Kingdom
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