I am using vesta, and I want to adsorb Oxygen atom in the hollow site of my platinum slab surface
1. calculate the hollow site position
2. In VESTA, edit-data-structure data-add atom: set the element and its position in step.1 and then apply.
Does data from contact tracing help in establishing patterns of behavior and social interactions that lead to infections? There are cases here in the Philippines where patients have no travel...
25 February 2021 9,002 13 View
24 February 2021 5,378 1 View
If you are teaching in Higher Education, please consider participating in our study on Instructional Resilience during Emergency Remote Teaching. We want to learn about which factors have...
19 January 2021 6,759 15 View
Hi all I am able to view the electrostatic potential surface using Gaussview to see the calculating result from Gaussian09W of a small molecule. However, the strength is represented by color. I am...
19 January 2021 5,448 3 View
Hi all, is it possible to do a meta-analysis of randomized controlled trials with factorial design? I would appreciate some guidance/referral to a statistical resource or guide on this. Many thanks.
17 January 2021 4,090 3 View
I have a box which is kept at 4C which is enclosed in a ziploc bag. The dimensions of the box are: 18cm x 13.4cm x 4.9cm. The relative humidity of this internal environment is 30% at this...
07 January 2021 6,734 3 View
Hello, I am writing this hoping someone can help me. I am just starting out with BN-PAGE and I have a transfer problem. It seems each time I transfer (2 membranes at a time) in a BioRad wet...
09 December 2020 1,008 3 View
04 December 2020 9,019 2 View
I am proposing that a hierarchical approach is used where coarse resolution variables are used to run a maxent SDM and delineate a presence/absence map for my species (tropical conifer tree...
24 November 2020 1,106 4 View
I'm currently in the process of coming up with a research pitch for a lab to be funded here in the Philippines. Rice is quite the common crop in the South East and its diseases are commonplace....
23 November 2020 5,194 4 View
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 View
(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...
02 March 2021 3,309 2 View
Is DCFDA appropriate for measuring total ROS production, or can it only detect certain types of ROS? If I want to measure total ROS production, which dye should I use?
01 March 2021 9,447 3 View
I am conducting anodic electrodeposition of MnO2 onto a stainless steel substrate, using a platinum strip as a counter electrode. This is done galvanostatically, with the current held between 5...
27 February 2021 1,829 3 View
during MD simulation, the atoms are not moving as per required. The problem (as per my observation) lies in energy minimization technique. upon application of tensile strain in x or y direction,...
22 February 2021 380 5 View
MAGNETISMIC GRAVITY What is magnetism? Something magnetic has a + and - charge. If 2 + or - are pushed if + and - are pulled. But what is the main reason for this? Why does magnetism have a pull...
21 February 2021 9,538 3 View
Additional questions are: What are the encapsulating atoms? How difficult was the process and what rates were achieved? What factors most seriously affect the economics?
20 February 2021 3,134 5 View
For example, I have this phonon dispersion(Fig. 1), and now I would like get vector of atoms which describes TA1 in P. I know v_sim can show vibrational animation of specific mode, but I do not...
20 February 2021 4,332 4 View
I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...
19 February 2021 1,236 1 View
The experiment is really simple. When I do a bulk electrolysis with 1% TFAA (ACN solution) to get dihydrogen, what is going to be oxidized? (working electrode graphit, counter electrode platinum,...
18 February 2021 4,430 1 View