Can anyone suggest me any program/code for design of functionalized nanoparticle? For eg, if I want to design a spherical ZnO NP(or any other metal oxide NP) coated with -NH3/ -COOH group to it, how to attach the functionalized group to the NP using computational/modeling approach?
Thank You
You may use Hyperchem (Hypercube Inc., Gainesville, FL, USA) software for this purpose. Thanks.
I am doing functionalization with graphene. Your material is zinc oxide. For ground state calculations you can use Gaussian, Schrodinger and ATK Quantumwise. I am working with ATK Quantumwise. Gaussian is the oldest tool. "Any ways Old is always gold".
Functionalization can be done by two ways Covalent , Non covalent
You can refer my article for functionalization.
We (Fedor Kovalev and I) made an informational experiment.
We had taken as basic words: nano fractal model, and found 20 topics being discussed in the articles based on these terms.
We had done this because it is our hobby to analyze research topic.
Each topic is presented with 20 words and 20 phrases as it is done in these articles.
As from privious experience not more then 30% of these topics will be useful .
Reading these topics will require efforts , since this is not a coherent presentation, and each topic is a list of substances, methods, theories, cases, etc. associated with this topic. Try to be patient, in the hope that new hypotheses and thoughts will appear.
We are not professional in the topic of question (just information workers) and had done this with hope that followers of the question will discuss сorrespondence of the results to the question and their helpfulness for development.
Because this is our hobby we can analyze other questions you can send.
Thank you Dr. Ivanova, Amin, Kumar and Mr. Kugler.
I appreciate your kind suggestions.
Thank You
I have worked on Material Studio from Schrodinger for this purpose. It works for me.
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