How to upload leaves extract into nanomaterials for nanomedicine ? how to find out the inorganic metal present in leaves?

Dear Expert, I am interested to develop nanomedicine using medicinal plant extract into nanomaterials. I need clear identification about Organic and inorganic content presented in herbal. Pl....

03 April 2018 1,609 0 View

How to differentiate green synthesis and bio synthesis of nano-materials ? What was the obstacle and drawback in these methods ?

Dear Experts, I need clearance about these two methods 1. Green synthesis, 2. bio synthesis for nanomaterials. Can anyone give the difference and similarity of these method. Pleased to educate me.

03 April 2018 6,337 6 View

Why synthesis of silver oxide nano-particles papers are available more than other metal oxide using leaves/plant extract?

Dear Experts, On leaves extract mediated Silver oxide Nano particle research work are highly impacted that other metal (cation) oxides. Why especially Ag2O nano work are important than other metal...

03 April 2018 8,168 0 View

Can anyone send Water splitting using metal oxide Review?

Dear Experts, I need to know about present and future possibilities from Research papers and Reviews.

03 April 2018 5,594 2 View

Can any one tell about natural nanoparticle ?

Dear Experts, I am interesting to known about the naturally formed nanoparticles, which can also used for other research activities.

02 March 2018 7,823 0 View

What happen to binary dyes dissolved in the solvent with Catalyst and progress to degradation under light ?

Dear Expert, If we dissolved the two type of organic dye in the solvent with metal oxides and then we progress to degradation under the light source. 1. Is it possible to photo-degradation of...

01 February 2018 8,709 4 View

Which one is everbest method to synthesis GaN Quantum dots?

05 June 2017 5,243 2 View

My complex having good hyperfine splitting ? How can i identify it is solid or in solution studies ?

My Metal complex having capability of hyperfine splitting nature. But i need to measure that sample, How to identify that hyperfine splitting lines more good in solid or solution state. Pl....

01 February 2017 352 0 View

I have XRD data for my SnO2 materials, How to convert my raw data into CIF format or file ?

I need to change XRD raw data into CIF file for my Pure SnO2 and doped SnO2 nano-particles. which is going to use in XANES analysis ? Pleased to help me.

31 December 2016 3,641 0 View

What is the chemical content inside the coconut water ?

Whether coconut water is neutral or acidic or basic ? Can any help to me...

11 December 2016 5,354 2 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

Using the Pfaffl method: Is it possible that the ratio of the calibrator does not equal 1?

Hi all, I have a question regarding calculations using the Pfaffl method. I have 3 groups per experiment: 1 control group (calibrator) and 2 treatment groups with 6 to 7 biological repeats per...

19 February 2021 8,351 2 View

How to calculate radial distribution function (RDF) of a complex from Ab initio MD simulation trajectory?

Hi all, Is there any software or webserver to read the molecular dynamics (MD) simulation trajectory which obtained from Ab initio MD simulation to calculate the atom-atom radial distribution...

25 January 2021 9,474 3 View

Solving diffusion- reversible chemical reaction equation: How to solve both terms numerically?

I am using finite difference method to discretize the parabolic equation (explicit method), but confused about the chemical reaction term. Solving the generic equation for i specie involves a...

24 January 2021 1,149 18 View

Doubt in DFT geometry preparation?

Hi all, I am trying to perform some ab inito DFT calculations using cp2k code. I have a unit cell of 120 atoms and would like to know how to refine or reduce the number of atoms in the unit cell...

20 January 2021 6,024 3 View

Why it is required to optimize a unit cell generated from cif lattice parameters and atomic coordinates during ab initio solid state calculations?

A cif file represents a unit cell with minimum energy. My question is, in the start of any ab initio calculation for unit cell generated from the cif file, why we are advised to optimize cell...

19 January 2021 9,883 3 View

Is it possible to calculate entalphy of LiBr/H2O or another solution if we know correlation of specific heat without using any software?

Is it possible to calculate entalphy of LiBr/H2O or another solution if we know correlation of specific heat without using any software?

17 January 2021 5,522 3 View

What is the best way to calculate electrical conductivity of semiconductors and the same system with a layer of oxide using Quantum Espresso?

I have tried BoltzTrap, and EPW but I'm not sure whether Boltzmann Transport Equation is a right approach for a complex system (semi cond. + an Oxide layer or even the semiconductor itself). Also...

11 January 2021 4,597 4 View

How to calculate IR and RAMAN spectra form Born charge ?

I am using crystal 17 for my solid state ab initio calculations. For some reason the program is not able to produce the Raman spectra but have generated born charges. Is there any way to produce...

11 January 2021 2,317 2 View