Gaussian with GaussSum: Raman and IR spectra

  Рет қаралды 19,871

IaNiusha

IaNiusha

Күн бұрын

Пікірлер: 8
@lppnam2403
@lppnam2403 4 жыл бұрын
This tutorial is truly helpful to me. Thanks a lot
@alexandredecarvalho4357
@alexandredecarvalho4357 4 жыл бұрын
Can you do the same on the GAMESS package?
@shahrazaullah7053
@shahrazaullah7053 Жыл бұрын
Hello, how to calculate equilibrium constant and diffusion constant using Gaussian or Gaussview
@mashalpk4294
@mashalpk4294 7 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-il4wv
@MrMS-il4wv 8 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?
@IaNiusha
@IaNiusha 8 жыл бұрын
just make sure you get the charge and multiplicity right. And that you have a good experimental reference to compare to
@bilalkhan-ly6ym
@bilalkhan-ly6ym 3 жыл бұрын
how to calculate PDOS using gausssum
@mustafaawadelseed1962
@mustafaawadelseed1962 7 жыл бұрын
you should should start from the basics , introducing the program and such , am physicists
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