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Questions related to Atoms
Is there a zero crossing detector inside the stm32 itself?
05 June 2023 4,412 0 View
I did the following steps: > 1) opt the system > 2) use the opt files for force constants matrix (is OK). > 3) use fcbuild command and the following error was printed out: > >...
02 June 2023 4,418 0 View
For bioceramics materials, we are physical properties like XRD, Dielectric properties. How can we interpret the bio characterizations with these properties?
24 May 2023 8,894 1 View
The DNA nanoflowers solution formed after the rolling circle amplification presents a gelatinous shape after centrifugation. How to disperse the DNA nanoflowers to ensure uniform particle size of...
21 May 2023 1,636 1 View
Hi everyone, I build a 3D-QSAR model with SYBYL and then want to predict CoMFA and CoMSIA fields of new compound for predicting biological activity. How can I do this?
13 May 2023 4,137 0 View
I've heard that GROMACS is particularly suitable for modeling biological systems, while LAMMPS is good at simulating hard matters like metals. But I still want to stick with LAMMPS, so I am...
15 April 2023 9,735 0 View
EE/O was calculated using the following equation: EE/O=(Pelec*t*1000)/(V*60*log(ci/cf)) where Pelec is the input power (kW) of the electric device, V is the reactor volume (L) of water treated, Ci...
12 April 2023 2,825 1 View
What types of microorganisms cause decomposition & microorganisms to degrade organic contaminants & to bind use of metals in a less bioavailable?
03 April 2023 1,074 2 View
I want a data set to work on that is arranged in csv type with columns and rows bbc news or routers news
28 February 2023 6,397 2 View
I am working with the HOM interferometer, in which an indistinguishable pair of photons (produced from Spontaneous parametric down conversion) show bunching behavior on a balanced beam splitter....
23 February 2023 716 2 View
hello all, I'am performing a 1000ns simulation for my protein and want to observe it's dynamic motion of domains through PCA analysis. i have two questions: 1) do we have to remove the PBC...
10 February 2023 2,277 4 View
I need to optimize close shell transition metal complexes comprising Pd and Pt. Because they are the second and third row elements, we can expect spin orbit coupling, which requires relativity...
07 February 2023 6,356 0 View
Hi, currently I'm running a geometry optimization calculation on BiOCl doped with Dy and it doesn't show anything. Usually when running a calculation it shows progress in form of a convergence...
25 January 2023 1,819 5 View
Hello , I have install VASP on my computer but I am not able to run the calculation I have attached the picture of the run result Any suggestion please! Regards
25 January 2023 4,117 2 View
I have calculated the adsorption energy but confused with diffusion barrier calculation?
17 January 2023 1,199 1 View
In Ti2FeNiSb2 double half-Heusler alloys, Sb is in a -3 ionic state. If we doped by Bi(-3) ion, there might be a chance of replacing the Sb(-3). For this purpose, I would like to know the ionic...
11 January 2023 1,245 1 View
AND there Is a gold technique that Is suitible for all meassurment off nano world????
23 December 2022 8,412 3 View
I am working with a system that has 13 chlorophylls. I am trying to do a QM/MM Md calculation with orca, where I only want to set one chlorophyll without the tail part in the qm region. By using...
14 November 2022 6,923 0 View
Perhaps the space-time we come from experience is the space-time interval, which is also the space-time of physical coordinates, depending on physical events or interactions. The natural...
05 November 2022 4,885 5 View
hello all, I have a 100ns sim .xtc file for a protein ligand complex. for the calculation of the pca i first center the complex applied rotational and translational fitting gmx trjconv and then...
01 November 2022 6,157 0 View
I used a one-step photoinitiated co-polymerization to prepare ionic gels. The gel of fixed thickness was prepared by separating two glass sheets with silica gel spacers. The whole curing process...
26 October 2022 664 0 View
The Hawking temperature $T_h$ is proportional to the surface gravity $\varkappa$ which, in spherical-symmetric case, one calculates on the Killing horizon. This temperature is very small but...
24 October 2022 9,178 4 View
Hi everybody. Im working with clavulanic acid in autodock tools, but when I wish convert file pdb to pdbqt, autodock tools no recognize my clavulanic acid pdb file. It show me error,...
24 October 2022 8,449 2 View
Dear all, I am making the all-dielectric metamaterial structure, and got trouble with the input thickness for dielectric substrate (e.g. sapphire). When I change the thickness, the noise (Fabry...
19 October 2022 5,949 0 View