can anybody plz tell me why the bonding effect is not showing in the case of molden(left-hand side figure), whereas the same is shown in avogadro(right-hand side figure)
Dear Pratik Sarkar
These links might be useful, have a look:
1. https://chemistry.stackexchange.com/questions/33932/generating-neat-orbitals-surfaces-from-molden-wfn-files
2. https://discuss.avogadro.cc/t/orbital-density-plot-in-avogadro/191
3. https://answers.uillinois.edu/scs/page.php?id=103413
Kind Regards
Qamar Ul Islam
After COVID-19 it has seen that EFL learners technological affiliation has raised. In addition, in the post-COVID period learners started to engage AI technologies like ChatGPT while learning...
08 August 2024 8,964 4 View
How we can cite the papers from ResearchGate. I am trying to create citations for this article, Quantum Machine Learning Algorithms for Optimization Problems: Theory, Implementation, and...
08 August 2024 6,690 3 View
I am currently working on LncRNA; to know the lncRNA-protein interactions I want to do RNA pull down assay, so I need to design primers with T7 promoter. I need assistance in this regard.
07 August 2024 6,622 1 View
how to get links for copyrights for papers?
06 August 2024 7,410 1 View
I want to refine one XRD peak of my in-situ xrd but the background is never working good which ultimately fails the refinement. How to refine and adjust the background using GSAS-II
05 August 2024 5,291 2 View
Hi, i would like to simulate an absorption process in Aspen Plus. I want to use the NRTL model und would like to add some individual Henry coefficients. Is that possible and how?
05 August 2024 2,333 2 View
Hello everyone, I'm encountering an issue with my electrochemical impedance spectroscopy (EIS) measurements and would appreciate some insights. Experimental Setup: Electrodes: Gold interdigitated...
05 August 2024 3,783 2 View
AI tools like ChatGPT can enhance research work significantly when used responsibly and in conjunction with thorough human oversight.
05 August 2024 1,842 3 View
Have you ever seen a LC-MS/MS method uses both internal standards and external standards (in matrix matching purpose) but the concentrations of internal standards are outside the calibration curve...
05 August 2024 3,084 6 View
Hi everyone, I am working on brain slices for visualizing a protein in the soma and dendrites, using a fluorescence tag. However, I need a tool (not paid) for reconstruction of the whole neuron,...
04 August 2024 4,725 2 View
Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...
07 August 2024 8,414 2 View
The resin bonded carbon containing refractories are aged before use. How time of aging is determined? And mechanism behind aging.
23 July 2024 3,205 0 View
Hello everyone, I am currently working on a project where I aim to analyze color preferences in data visualizations across participants from three different countries. The dependent variable in...
19 July 2024 4,178 2 View
The adsorbate is Arsenic and the adsorbent is a soil
18 July 2024 332 8 View
Hello, I'm trying to create parameter and coordinate files for a drug (PRG-A01) found on the following page: http://www.probechem.com/products_PRG-A01.html I used the guide made by Michael...
17 July 2024 3,472 3 View
I have to compare the FTIR of the two samples, one is in powder form and other one is the powder dispersed in IPA or water. Both are same material, so how the bond will change
09 July 2024 8,011 2 View
To elaborate on my question: When implementing offloading techniques in mobile edge computing using simulators like OMNET++, how can I complete the experiment with results and visualizations? I...
03 July 2024 5,238 2 View
Bonjour, j'ai une question si quelqu'un a une réponse. J'ai une colonne Uptisphere Strategy 100 Å Bonding HILIC-HIT avec une taille de particules de 3 µm et une longueur de 100 mm. Je n'arrive pas...
24 June 2024 7,201 1 View
Hi, may I know I want to fuse my protein with affinity tag for protein purification in Expi293, how can I determine and visualise how does a N or C terminal tag affect my proteins (structure,...
24 June 2024 8,622 6 View
Hello everyone, without going too much into details, my thesis is about improving the bonding strength at the wire bonding process. I should focus on laser pretreatment of the substrate. Has...
17 June 2024 366 1 View