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1.The selective reduction of the carboxylic group is explained in this article. Link:https://www.ch.imperial.ac.uk/rzepa/blog/?p=5114. It could reduce esters but is not favourable at all and difficult.So if u only have an ester grp and its treated with bh3, then you can reduce it. However if both carboxylic and ester grps are present, carboxylic acid gets ...


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To study surface reactions I recommend the growing string method (GSM) for surfaces. Here is a nice quote from the paper which developed it (Ref. 1) GSM’s efficacy was confirmed by comparison with CI-NEB on an extensive set of reactions characteristic of modern surface chemistry studies. In these cases, GSM reduces the computational cost (in terms of ...


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