Plz tell me how will I calculate qe calculated value?
Science Citation Indexed Expanded are equivalent to Science Citation Index. DST ask paper published in SCI indexed journals for research associate post. SCIE indexed published journals paper are...
08 September 2018 8,702 0 View
Kindly explain about theta angles. What kind of parameters can be identified by XRD graph?
07 August 2018 1,498 2 View
Does only high impact factor publication is worthfull ?
06 July 2018 8,671 3 View
I want to calculate breakthrough curve from BDST model. Can anyone provide raw file of excel or formula to calculate breakthrough curve?
05 June 2018 6,128 0 View
If flow rate and bed height is constant at different time interval. Is there any possibility of adsorbed metal leaching after saturation?
01 February 2018 4,873 0 View
Kindly give your answer.
10 November 2017 5,687 3 View
Is adsorbent become saturated? So, material releasing colour with solution.
10 November 2017 672 0 View
How can be selected soil as adsorbent material for pollutant removal in fixed bed column study?
10 November 2017 1,359 3 View
It should be dose, pH or metal ion concentration. Kindly explain in detain. dose range- 2 4 6 8 10 g/L pH 2-10 metal concentration 10-100 mg/L (10 20 40 60 80 100)
11 December 2016 2,107 0 View
Which parameters should be taken for study?
05 June 2016 6,813 0 View
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
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
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
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
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
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
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?
17 January 2021 5,522 3 View
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
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
