This tutorial is truly helpful to me. Thanks a lot
@alexandredecarvalho43574 жыл бұрын
Can you do the same on the GAMESS package?
@shahrazaullah7053 Жыл бұрын
Hello, how to calculate equilibrium constant and diffusion constant using Gaussian or Gaussview
@mashalpk42947 жыл бұрын
this is highly informative!, thank you so much! I have a query - I was trying to optimize Cd-Se-Cystein nano particle molecule using GassView 5.0 and Gaussian 09 W, but after 4th or 5th iteration in the optimization process it's getting fragmented in to different sub molecule. cud you shed some light on this, why is it happening? thanks in advance
@MrMS-il4wv8 жыл бұрын
Thank you very much for this video and all other videos as well, amazing channel!! I am wondering if there will be anything different when IR spectra for non-organic molecule, such as O3, is studied. Is there anything I should pay attention to when computing IR spectra for O3 for instance?
@IaNiusha8 жыл бұрын
just make sure you get the charge and multiplicity right. And that you have a good experimental reference to compare to
@bilalkhan-ly6ym3 жыл бұрын
how to calculate PDOS using gausssum
@mustafaawadelseed19627 жыл бұрын
you should should start from the basics , introducing the program and such , am physicists