About Input factors which has chosen for wear examination?

1. Why 5, 10 and 15% of SiC was chosen? any base reference paper related to it. Why not below 5% is to be included. 2. What will be the result if the % of SiC is reduced less than 5% in wear...

27 October 2020 6,635 2 View

How can we cut the most intense peak of an XRD pattern so as to magnify the minor phase peaks?

05 May 2020 7,005 2 View

How to do Openshell singlet calculations in Gaussian?

I have a system with a diradical character. I want to know whether it is triplet diradical or singlet diradical. How we can do that in gaussian?

31 March 2020 6,691 5 View

Hi, Could anybody suggest how can i determine the nature of FMOs of a molecule?

In detail, I want to know whether the HOMO of my molecule is either bonding or anti-bonding in nature? Please suggest me the software or code that can give the percentage of the antibonding...

15 March 2020 6,670 3 View

How to calculate melting point from Molecular Dynamics free energy calculations?

Am trying to calculate melting point of Silicon based on free energy methods in LAMMPS, I want some literature/theory for calculation of reference system free energy i.e. Einstein crystal for...

16 January 2020 840 3 View

Why is my calculated specific surface energy is wrong?

I want to calculate specific surface energy of [111] surface of Nickel. Code: units metal dimensions 3 boundary p p p atom_style atomic lattice fcc 3.52 orient x -1 -1 2 orient y 1 -1 0 orient z 1...

03 September 2019 9,713 3 View

Why is my temperature is not reaching to target temperature?

I want to calculate cohesive energy of fcc system at room temperature and 0 pressure. So I used following code for NPT. CODE: units metal velocity all create 100 87287 mom yes rot yes neighbor 2.0...

27 August 2019 5,116 3 View

What are the examples of real life time varying robotic systems? Can I also get the system matrix, i.e A(t) for such a system?

I am researching on controlling systems with time varying parametric changes. After studying few exemplar/textbook systems, I would want to apply it to a practical scenario. Thus, looking for a...

18 February 2019 4,369 4 View

As per the new policy of BMW 2016.. which color coded Dustbin should be used for discarding the reagent Bottles ??

Biomedical waste management policy India issued on 28 March 2016, reagent Bottles, color coded Dustbin. As per the new policy of BMW 2016.. which color coded Dustbin should be used for discarding...

11 October 2018 4,282 1 View

How to interpret PCR result?

Recently, I have done PCR for my gene of interest. in there, I got band size of my gene of interest and also in negative control (Water). I get the same band size of my gene of interest in...

07 October 2018 2,187 12 View

What information can be had from raman at higher wavenumber?

i have recorded raman spectra of strontium oxide thin film. the spectra were recorded in the range 400 to 4000 cm-1. i have reference to peaks upto 1000cm-1. but i couldn't find literature for...

26 February 2021 2,499 1 View

How can I find a Raman spectrum wavenumber corresponding to what compound?

I have several Raman spectra with very distinct peaks at certain wavenumbers, such as 277, 359, 466, 583, 623, 686, and 795cm-1. How can I identify them to what compound(s)? The RRUFF and others...

24 February 2021 363 3 View

Standard curve shifting over time. How do I stabilise the ELISA?

24 February 2021 1,365 3 View

How does the injection volume impact LLOQ and ULOQ in regression analysis (LC-MSMS)?

Hello, I have run into an issue that has sparkled a debate at work: is the LLOQ/ULOQ impacted by injection volume under the following circumstances: 1) Same dilution factor of all samples 2)...

23 February 2021 9,159 3 View

How can I simulate the optical absorption spectrum of a biomaterial (like DNA or protein) in COMSOL?

I need to simulate the optical properties of a biomaterial, namely DNA, in COMSOL. Basically I need to simulate the IR absorption spectrum of a cylinder filled with a 'concentration' of DNA. I am...

21 February 2021 3,043 3 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 open an old ".MTS" file containing spectroscopic data?

Hi supreme hive-mind of the internet, we have some old *.MTS files that are supposed to contain spectroscopic data, probably some coordinates and a long list of single line spectra. Basically,...

16 February 2021 9,385 2 View

XRPD Quantification - Building a calibration curve of drug excipient?

I am aiming to utilise XRPD to quantify a drug excipient within a drug product and have been having a little trouble building the calibration curve to allow for this quantification up until this...

10 February 2021 6,145 3 View

Could we interpret the intensity of the peaks of the FTIR spectrum correlating to the concentration of some compound?

If we analyze the extract of two plants from the same species (for example) and there are very similarities between the two IR spectra except for the intensity of one peak at the same wavenumber....

05 February 2021 2,630 5 View

Identical spectra for L- and D-peptides after they self-assemble?

Hi dear all, I need advice. I have two peptides with the same sequence but one consists of L-amino acids only and the other consists of D-amino acids only. when they self-assemble in aqueous...

03 February 2021 2,032 3 View