How can I maintain high pH while synthesizing nanoparticles using greenroute ?

31 December 2016 9,676 4 View

How to increase the boiling point and flash point of n-butanol by mixing it with Dietyhlene glycol?

04 May 2016 6,801 8 View

How to prevent oxidation of copper nanoparticles synthesized from plant extract at room temp i.e how to dry the prepared sample at room temp?

I am not getting pure copper nanoparticles, rather copper oxide is more formed.

04 May 2016 4,598 5 View

How to prevent oxidation of copper nanoparticles synthesized from plant extract at room temp i.e how to dry the prepared sample at room temp?

03 April 2016 4,256 1 View

How to control the different morphology of nanoparticles by using inorganic salt and plant extracts? What parameters should be considered?

02 March 2016 2,847 2 View

For synthesis of copper nanoparticles from plant which precursor is good either copper sulphate or copper nitrate?

yield is very low in case of copper sulphate

01 February 2016 8,186 2 View

Any plant having antireductive property?

most of the plant have antioxidative property

01 February 2016 601 0 View

How should i take the uv visible of metal nanoparticles synhesize from plant extract just after mixing or after complete reaction and drying?

01 February 2016 8,291 5 View

How to incubate the reaction mixture?

I am doing the synthesis of nanoparticles where papers report to incubate the reaction mixture for 12 hours at 60 degree C.

31 December 2015 4,690 0 View

How can I observe the effect of concentration of the substrate and reducing agent in biogenic synthesis of nanoparticles from plant?

It is reported that when higher concentrations of noble metal salts in comparison to the bio-reducing agents inhibit successful synthesis of the nanoparticles further it was reported that when...

11 December 2015 1,566 5 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

How to formulate Energy minimization in Molecular dynamics simulation for alloys using meam potential?

during MD simulation, the atoms are not moving as per required. The problem (as per my observation) lies in energy minimization technique. upon application of tensile strain in x or y direction,...

22 February 2021 380 5 View

Magnetismic Gravity in the universe?

MAGNETISMIC GRAVITY What is magnetism? Something magnetic has a + and - charge. If 2 + or - are pushed if + and - are pulled. But what is the main reason for this? Why does magnetism have a pull...

21 February 2021 9,538 3 View

Has anyone succeeded in capturing uranium atoms in a fullerene structure?

Additional questions are: What are the encapsulating atoms? How difficult was the process and what rates were achieved? What factors most seriously affect the economics?

20 February 2021 3,134 5 View

How to get the vector of a specific vibration mode in phonon dispersion?

For example, I have this phonon dispersion(Fig. 1), and now I would like get vector of atoms which describes TA1 in P. I know v_sim can show vibrational animation of specific mode, but I do not...

20 February 2021 4,332 4 View

What are the potential shell well and atomic solvation parameters for the boron atom?

I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...

19 February 2021 1,236 1 View

How to combine two geometries in LAMMPS ?

I am trying to simulate contact angle of water on a quartz slab using LAMMPS. I have created and equilibriated the quartz slab and the water cluster separately. Now I want to create a composite...

17 February 2021 5,884 2 View

Rdf of atoms from a COM or point in lammps or VMD?

Hello all, as I understand there isn't any straight way to get an rdf of atoms from the center of mass or a coordinate of specific atoms in lammps. I wonder if anyone know any trick or way to get...

16 February 2021 2,517 2 View

What is error #2070 in gaussian.how we do resolve it?

We want to ONIOM calculation in gaussian16. However, gaussian doesn't work. What should we do? Atom 15 layer R linked to atom 85 is also bonded to atom 161 in layer M bad...

15 February 2021 7,766 3 View