shg efficiency can be calculate based on the kdp and urea
how the difference between those will study
31 December 2018 9,930 6 View
need details of changes happen in nano material due to confinement
11 December 2018 4,308 0 View
i need to know size, properties applications of nano materials
11 December 2017 312 0 View
I need the reference of the shelf life about crystals
31 December 2016 5,176 0 View
space group Pnma crystals are noncentro symmetric or not
04 May 2016 3,961 5 View
i want to know the details of tha above from jcpds
03 April 2016 3,857 1 View
I would like to know the assignment of inorganic compound for doping material.
31 December 2014 460 1 View
ftir is useful tool to know about nlo?
11 December 2014 7,932 3 View
i want to calculate bond length and bond angle
08 September 2014 665 0 View
what changes are possible in crystal
08 September 2014 3,429 1 View
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
I want to remove Urea from my protein (6kDa) sample. I did use : 1. Step down the Urea gradient (dialysis) in order to remove urea and refold my protein, but my protein still contains urea in the...
06 August 2024 1,350 4 View
During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...
06 August 2024 726 3 View
What information we can get from PXRD analysis other than from SCXRD analysis of a crystal ?
30 July 2024 6,261 4 View
How to apply magnetic field parallel to b axis of any crystal
29 July 2024 4,083 2 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...
25 July 2024 3,364 5 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
I want to study the thermal properties of a mixed system which is constructed by virtual crystal approximation in VASP. When I try to run the ab initio Molecular Dynamics of this system in VASP, I...
19 July 2024 6,569 3 View
I'm trying to study the effects of introducing vacancy defects in my material. If I optimize my structure and find the lattice parameter before introducing vacancy, should I again optimize my...
18 July 2024 1,794 2 View
