We have started our Chemistry Unit and the very first statement the teacher says is that
"All Atoms want to be stable. They achieve this by having a full valence shell, which they achieve by forming bonds"
Now I understand this, but what is stability?
If stability means for an atom to use or cont...
I have created a graphene supercell using Quantum Espresso and performed a vc-relaxation on it. Now, I need to verify whether the created structure is stable and demonstrate its stability with numerical values. Can I use formation or cohesive energy for this purpose?.
Hey everyone, I’m diving into running equilibration and dynamics simulations with Amber, and I could use some guidance on the necessary commands. Specifically, I’m curious about the differences between crd, rst7, and rst file formats. Could someone please outline all the commands required to launch both equilibration and dynamics simulations in Amber? Additionally, what differentiates crd, rs…
Hi all, I just realized the way I made my VN slab seems to induce magnetization in the structure. This follows this author's work,. (Check VN electronic structure not symmetric). This puts a wrench in my adsorption process because after optimizing the unit cell from the databases, I would need to turn on magnetization for the slab structure with virtually no initial guess for QE's star…
I found out that Mercury's 6s electrons undergo relativistic effects that make their pull to the nucleus greater, which makes it so that they can't bond with other atoms of Mercury to form a solid. Why don't the other elements with a 6s electrons, such as Tungsten, act as liquids if they both hav...
I have created a graphene supercell using Quantum Espresso and performed a vc-relaxation on it. Now, I need to verify whether the created structure is stable and demonstrate its stability with numerical values. Can I use formation or cohesive energy for this purpose?.
I have a 8000 gallon tank of HF , nitric acid and water. How do i calculate how much nitir acid to add to a tank at 9g/l to take it to 12 g/l
