How can we use Gaussian Program (G09) for nanomaterials calculations through Gaussview View?

More Mostafa Y Nassar's questions See All

I am wondering How can I check a plagiarism of a manuscript freely?

Does any one have a free program or web site for checking the plagiarism of a manuscript? Thank you very much in advance!

11 December 2018 2,898 4 View

Do you please know a free way to download articles from ACS?

Excuse me, Please I need frequently to download papers from ACS web site (https://pubs.acs.org/); therefore, I am wondering do you know a way to download those papers freely. Our University does...

01 February 2018 269 0 View

Can we define a nanocomposite in nanomaterials as a mixture of two or more components that does not have chemical or physical interactions?

Based on our previous discussion, I am wondering, can we define nanocomposite as a mixture of two or more components which do not have any interaction (physical nor chemical) between each...

31 December 2017 10,016 14 View

I am wondering, what are the differences between nanohybrids and nanocomposites in nanomaterials?

Can anyone please tell me what are the main differences between nanohybrids and nanocomposites? Thank you so much in advance. Best regards,

31 December 2017 2,679 19 View

Can we define a nanohybrid in nanomaterials as a mixture of two or more components that have chemical or physical interactions bet. them?

Based on our previous discussion, I am wondering, can we say that nanohybrids, in nanomaterials, are mixtures of two or more components that have physical or chemical bonds or generally speaking...

31 December 2017 6,287 2 View

Excuse me, Do you have any English tutorial videos or lecture notes on using Gaussian Program (G09) in nanomaterials calculations?

If you have any English tutorial videos or lecture notes on how we can use Gaussian Program (G09) in nanomaterials calculations, I will be very thankful. I am interested in calculation of energy...

31 December 2017 8,449 2 View

Excuse me RG members, Do you know a good, simple, and free downloadable book on Chitosan derivative polymers?

Could you please if you have a free and good book on chitosan derivatives, share it if possible. Thank you so much in advance. Best regards,

31 December 2017 6,809 3 View

Excuse me, Do you know a free program for building a crystal such as TiO2, ZnS, Fe3O4, ...etc for quantum calculations?

Please I need a free program working as a Crystal builder for solid inorganic materials for quantum calculations. Thank you very much in advance. Best regards, Mostafa

31 December 2017 7,579 1 View

Excuse me RG members, do you know a good website to improve my English?

I am looking for an American web site to improve my English. I actually like and prefer the American English. Therefore, if please you know good web sites for improving the English language...

31 December 2017 7,218 7 View

I am wondering, Have you used BigDFT software in your quantum calculations for nanomaterials?

Is it a reliable program for our scientific research? Thank you in advance.

11 December 2017 9,673 5 View

Why Austenite grains in steel show much more twinning than ferrite grains?

It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...

02 March 2021 728 2 View

What are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 View

Apart from Nanosilica and CNT's what are the other nanomaterials readily available to use in concrete mixture?

Nanotechnology in concrete materials

01 March 2021 3,379 3 View

What is the density for pva electrospining?

I'm Juan Carlos, a high school student who is working with electropinning, I made an electropinning machine with a 21g needle and a 30kv high voltage source and the distance between my needle is...

28 February 2021 298 3 View

Why am I not able to use all VEP programs for the in silico analysis of avpr1b SNP's?

Good day researchers I am busy analysing the predicted effects of certain SNP's in AVPR1b. When using the VEP prediction programs (SIFT, Polyphen, FATHMM, LRT, Provean, Mutation Assessor, and...

28 February 2021 5,197 1 View

What is the difference between genotype and haplotype data in the ped format?

Hi everybody In the ped format for genotype, alleles of any SNP are represented by two columns (one for each allele, separated by a space). Is a column sufficient for the haplotype to...

27 February 2021 1,965 1 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

How to search for crystal structure for material with atomic position labelled?

I am using the crystallographic open database and materials project to search for cif file but the exact structure is not mentioned or how can I deduce that the given structure and atomic position...

23 February 2021 6,723 2 View

How to generate AA6061 alloy or any aluminium alloy crystal in material studio?

I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.

22 February 2021 1,410 1 View

Build an orthogonal box in ASE?

Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The...

21 February 2021 5,899 4 View

Mostafa Y Nassar

I mean if you have recommended web sites, articles, or lectures i will be very thankful.

Thank you so much.

Murtaza Sayed

what kind of calculations do you want?.

Dear Murtaza Sayed , I need to calculation the energy gap of some nanomaterials and energy of adsorption of adsorption of some organic and inorganic pollutants on those nanomaterials. Thank you so much for your interest.