Tags: tool:uvspec

Questions & Answers (1-7 of 7)

  1. Why didn't converge experimental data and calculated spectra?

    Closed | Responses: 0

    Hello, I use UV-Vis spectra simulator. But the calculated spectra via simulator didn't converge any experimental results. Why?

    http://nanohub.org/answers/question/1734

  2. Does it simulate at 0 K or room temperature?

    Closed | Responses: 0

    http://nanohub.org/answers/question/1672

  3. add some parameters

    Closed | Responses: 0

    Dear developers, 

    How do I add some parameters, such as temperatures, basis functions, etc. I use Avogadro software for construct of molecules, and I found input file for Orca...

    http://nanohub.org/answers/question/1639

  4. Has it any time limit of this tool for during calculation?

    Closed | Responses: 1

    http://nanohub.org/answers/question/1638

  5. biosensor simulation

    Open | Responses: 1

    Can I use this tool to simulate graphene sensor to bacteria like E.coli? That means when different concentration’s bacteria is bond to the graphene sensor surface, the simulator detect...

    http://nanohub.org/answers/question/1350

  6. Cartesian coordinates of sodium heptagluconate

    Closed | Responses: 1

    I have used the Babel programm in order to convert the *.mol file from the ISIS Draw to the XYZ format. When I copy/paste this coordinates the programm don’t recognise them. Can you...

    http://nanohub.org/answers/question/1162

  7. How to upload

    Closed | Responses: 2

    in what format I can upload molecules for studing their properties in the NUITNS toolkit? Thanks.

    http://nanohub.org/answers/question/841