[gmx-users] Doubt from Graphene oxide layer

RAHUL SURESH drrahulsuresh at gmail.com
Mon Jun 5 12:31:31 CEST 2017


First let us know what do you mean by some computational tools. If you
really mean "some" then you vast choices like chem craft, accrlys draw,
gauss view, chem draw, Marvin tools,....

These are user friendly and you have lot YouTube tutorials

Can help for further classifications.

On Mon, 5 Jun 2017 at 12:40 PM, Rakesh Pant <
rakesh.pant at students.iiserpune.ac.in> wrote:

> Hi,
>
> I want to create a Graphene Oxide (GO) layer using some computational
> tools. It consists of different type of functional groups like hydroxy,
> carboxylic, and epoxy. VMD can generate Graphene layer. How Can I generate
> GO layer by using some computational tools?
>
> Thanks
>
> --
> Rakesh Pant/राकेश पंत
> Research Fellow/अनुसंधान फेलो
> Indian Institute of Science Education and Research (IISER)
> भारतीय विज्ञान शिक्षा एवं अनुसंधान संस्थान
> Pune-411008, India/ पुणे - ४११००८, भारत
> Web:http://www.iiserpune.ac.in/~arun/webarun_files/rp.htm
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-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*


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