Simulating UV-visible light Absorption Spectroscopy - Using ORCA in Inorganic Chemistry (Part Two)
Автор: DrBenChem
Загружено: 2020-06-05
Просмотров: 10006
Описание:
I demonstrate how you can use ORCA to simulate a transition metal complex ion (hexaaquavanadium (II)) on your home PC to obtain a uv-visible light absorption spectrum (also known as electronic absorption spectroscopy). I also suggest some experiments you can try to improve your understanding of inorganic chemistry.
This is part of my series in Computational Chemistry for Students and Teachers, in which I demonstrate how you can simulate molecules on your home PC using free software.
Software used:
IQMol - http://iqmol.org/
ORCA - https://orcaforum.kofo.mpg.de/app.php...
I've also set up a GitHub repository, containing useful resources:
https://github.com/DrBenC/CompChem-fo...
Please leave a comment if you found this useful! I am not associated in any way with ORCA or any other software I use in these videos - I am simply an enthusiastic user!
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