Contact experts in Atoms to get answers
3,065 views 1,478 posts
Questions related to Atoms
Hi, I have a gas mixture of (H2,CO,H2O,CO2). For calculating pure viscosity of this component ,I need dipole moment. How can I calculate dipole moment? Any body knows a good reference to use that...
27 December 2023 2,244 0 View
Hello all, I hope someone here can help me with some TD-DFT calculations. I am trying to calculate the excited state optimised structures and energies of some Germanium compounds. Firstly, I run...
21 December 2023 4,630 2 View
..
17 December 2023 6,903 10 View
how to purify tau protein in low temperature by tris buffer?
17 December 2023 1,222 0 View
"Hi everybody, I need to find some TS related to conical intersections, and I will try the Spin-Flip TDDFT approach. My questions are: Where is SF-TD-DFT efficiently implemented? Which DFA is...
15 December 2023 10,002 3 View
When I repeated the work of growth of hBN by placing an alloy containing iron on the blue sapphire substrate at high temperature, it was found that the Raman peaks of regular hexagonal grains...
04 December 2023 2,864 1 View
Explain in detail with example.
30 November 2023 5,995 2 View
How can femtosecond transient absorption be used to analyze the luminescent properties of quantum dots? What information can be obtained from TA? How can it be analyzed and interpreted? Especially...
28 November 2023 5,207 2 View
How i clean PD minitrap G10 column???
28 November 2023 3,101 0 View
I am trying to perform nbo calculations on an optimized structure using Gaussian software. I've included my input file as well as abbreviated NBO orbital interaction output. The separation of this...
27 November 2023 4,176 2 View
Hello to all, I get something to confuse me... I performed DFT to a molecular system with carbazole, so, I set a functional group in C2 position and calculated the molecular energy density...
24 November 2023 8,781 2 View
Hi! I do patch-clamp on cardiomyocytes in whole-cell configuration, voltage-clamp mode. Everything went well but suddenly the baseline started to drift down (when the electrode is in the bath,...
23 November 2023 4,405 0 View
Dear all, I am doing relaxation calculation in VASP for a material BaLaMn2O6. I am confused for how to choose the DFT +U input for the calculation(Single point energy calculation , band...
14 November 2023 4,041 6 View
I am facing this problem while calculating the thermoelastic properties of a compound. I used Boltztrap code in quantum espresso. Is there any solution?
14 November 2023 6,901 1 View
Polarisation in Piezoelectrics The more the better or the less the better?
13 November 2023 8,143 0 View
In the process of fabrication waveguides on lithium niobate and aluminum deposited on it with a thickness of 160 nm, after lithography I have a break in the waveguides as shown in the figure. What...
11 November 2023 7,263 3 View
Dear all, I need a structure of Methylene blue. Can anyone help me? Thanks Henu.
10 November 2023 4,034 0 View
The stainless steel bolt destroyed my front mass(AL7075) threads ☹️ any advice? this is for an ultrasonic transducer
10 November 2023 8,974 1 View
Can anyone provide a value for the adsorption energy of water to gold? I could not find any paper on that.
08 November 2023 2,716 6 View
I have one small doubt. While considering copper atom (transition metals), I get alpha and beta orbitals due to atomic number 29 and i would like to know which orbitals (alpha or beta) contribute...
31 October 2023 7,261 0 View
I am trying to measure the resistance/resistivity of Carbon nanotube (CNT) by Van der pauw (VDP) method. I have fabricated CNT resistive device with CNT in the middle and Cr/Au as the electrodes...
30 October 2023 9,958 0 View
Hi good day Can you suggest a solution to build COMFA and COMSIA models with better Q2? Thank you in advance.
29 October 2023 4,232 5 View
what is the normal range in case of cell lines?
29 October 2023 3,340 3 View
I was trying redock a ligand to a protein, which was already present in the PDB crystal structure. I extracted the ligand and tried to dock it again using Autodock vina in that same site specified...
26 October 2023 7,901 7 View