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Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
Hi! So i attempted to understand a novel protein behavior towards heat application by analyzing its secondary structure change. I subjected the protein to a thermal denaturation analysis using...
06 August 2024 1,989 3 View
What is the thermal expansion coefficient of human muscle?
27 July 2024 7,190 0 View
Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...
25 July 2024 3,364 5 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
I'm trying to study the effects of introducing vacancy defects in my material. If I optimize my structure and find the lattice parameter before introducing vacancy, should I again optimize my...
18 July 2024 1,794 2 View
Fisher studied if there is an out-of-equilibrium process that rapidly converges to some equilibrium points. He claims that Hahn process has a Lyapounof function and therefore convergent to an...
15 July 2024 1,460 4 View
I want to extract glycosides from my mangrove leaf samples, but my laboratory lacks an incubator capable of reaching temperatures above 60°C. The paper I am following specifies a minimum...
13 July 2024 3,686 0 View
"When solar irradiation reaches a surface, some of it is absorbed while the rest is reflected. Part of the light absorbed by the surface transforms into heat and increases the module's...
13 July 2024 8,621 5 View
We're studying the stability and fusion behavior of multiple PVC compounds in a Brabender. After a few trials, we set the temperature at 195 °C and the rotor speed at 70 rpm. Samples differ in...
12 July 2024 2,768 1 View
