How can I find NBO analysis of metal complexes and their interpretation ?
Mr Kumar,
There is available a relative good explanation here:
https://www.chem.wisc.edu/~nbo5/ch3nh2.html
Thank you very much Bojidarka B. Ivanova.., i will check and respond to you very soon
Also, you can find some useful information here:
http://www.cup.uni-muenchen.de/ch/compchem/pop/nbo2.html
http://nbo6.chem.wisc.edu/tutorial.html
I have done the NMR study of 4 organic molecules with Gaussian 09 but not getting how to interpret the spectra and NMR values?
04 May 2016 3,234 3 View
How to do NMR interpretation from Gaussian log ( result files) ?
03 April 2016 5,158 0 View
I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...
08 August 2024 8,329 0 View
Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer
30 July 2024 3,354 1 View
I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...
30 July 2024 6,420 1 View
Hello, colleagues. Recently, I have been working on a metal processing simulation with my UMAT in Abaqus. I have outlined the corresponding simulation, but I keep encountering issues that cause...
30 July 2024 7,062 1 View
Hello Everyone! I am trying to create a metal hydride system where I am trying to create a temperature control with the emphasis on measuring the concentration of the hydrogen with the hydrogen...
29 July 2024 7,577 2 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
Understand how to utilize biosynthesis to develop natural and sustainable solutions to address heavy metal pollution and improve environmental and agricultural conditions.
26 July 2024 1,469 1 View
It has been long known that EDC carbodiimide and NHS easter's half life agains hydrolysis are highly related to pH. However, very surprisingly, not yet found a paper giving a table/chart of their...
25 July 2024 8,738 0 View
I am trying to coating metal oxide into steel substrate, for better sticking planning to utilse epoxy based, Could you please suggest suitable curing agent for the coating purpose
25 July 2024 438 3 View