Which is the best computational software for the studies of atom and their interaction?

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What may be the reasons behind the shrinkage of RBC during the SEM sample preparation?

Dear researchers, I am facing a problem with the shrinkage of RBC during the SEM sample preparation. In brief, blood was collected from the fish, and the smear was prepared on a 10mm circular...

01 May 2024 7,260 3 View

Which guideline to be used for unknown peaks(Ghost Peaks)investigation and what is limit of unknown peaks in residual solvents and related substances?

During Analysis of residual solvents found An unknown peak so my question this which guideline to be used for investigation And what is limit of unknown peak in PPM And how is calculated

12 April 2024 9,510 2 View

What is possible cause of %rsd failure in GC Head space chromatography in six replicate standard solution??

% rsd fail down 10%limit

12 March 2024 8,989 1 View

How to estimate the concentration of a chemical compound in E3 media via HPLC?

I have to estimate the concentration of a chemical compound in E3 media used in zebrafish embryo exposure to that chemical. What should be the method or protocol for sample preparation for this ?

15 November 2023 9,751 0 View

What is the importance of whole or partial (only particular gene sequencing) mitochondrial genome sequencing of particular wild fish species?

If the species is least concern according to IUCN red list, then why we go for mt-gene sequencing? What will be the usefulness for the species after research? Would it be the useful research or we...

20 August 2023 9,663 1 View

What may be the reason behind the degeneration/degradation of 96h zebrafish larvae during the AO and DCFH-DA staining to study the apoptosis and ROS?

20-25 larvae (96h) were randomly selected, washed 2-3 times with PBS, and then stained with AO(5ug/ml) and DCFH-DA(10uM) stain for 30 min separately and then washed with PBS 2-3 times to remove...

27 July 2023 9,672 4 View

How to dope in Quantum expresso supercell ?

I wanted to dope Yttrium with 3+ valence in place of Germanium with 3+ in GaN structure. I tried to change the element in atomic positions at different points and then do relax and vcrelax. I am...

04 April 2023 9,302 1 View

Can a uniaxial elastomeric fatigue data be extrapolated to find the fatigue life of complex structures under complex loading ?

I have a a bigger rectangular block of runner undergoing simple shear deformation under axial compression. Is it correct to plot the tensile strain history of the critical point of the specimen...

13 June 2022 2,109 0 View

How to get reachable workspace of 3-DOF parallel manipulator by Monte Carlo Method?

Hello Everyone, I am working on 3 DOF parallel manipulator. I was trying to find the reachable workspace of my parallel manipulator by the Monte Carlo method, and I am facing an error in solving...

01 February 2022 4,557 4 View

What is the correct size of element to calculate T stress using CINT command in ANSYS APDL ?

I am trying to calculate the T stress from the ANSYS APDL 17.2 using CINT Command for a 2D plate under plane stress condition. The Code I am using is given below: CINT,NEW,1 CINT,TYPE,TSTRESS...

13 January 2022 2,801 0 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

1. If I can quantize the atom using this hyperbolic spiral and classical physics, could nature do the same?

If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...

07 August 2024 5,343 2 View

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,598 1 View

Should I include H atom into C3N5 when i am doing DFT modelling?

Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...

07 August 2024 8,414 2 View

Why reactivity isn't increased with more empty spots in valence shell?

If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...

03 August 2024 4,787 2 View

Why do paired electrons atoms produce no magnetic field lines?

If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...

03 August 2024 3,927 2 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

How can you draw a coordinate bond between a metal and donor atom in metal complexes, using discovery studio visulizer software?

Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer

30 July 2024 3,354 1 View

Difficulty with permittivitt and Magnetic Permeability Calculations?

Difficulty with permittivitt and Magnetic Permeability Calculations Hello everyone, I have all the parameters related to the calculations of the permittivitty and magnetic permeability...

30 July 2024 5,206 1 View

How to do pca analysis of c-alpha atom of the protein?

i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...

30 July 2024 1,607 1 View