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File Extensions - English

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Outline:
* Prepare input files for computational chemistry programmes such as:
  GAMESS, Gaussian, MOPAC, NWChem  etc.

* View Molecular orbitals and calculated IR  spectrum using output   files generated from GAMESS and Gaussian software.
Width:832 Height:608
Duration:00:10:53 Size:3.5 MB

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Pre-requisite

Stereoisomerism

  Assignment

Code files

  • Output-files/
  • Output-files/Benzene.fchk
  • Output-files/Water-MO.log
  • Output-files/Benzene.log

Script

Timed Script

Slides

  • Extensions-Slides/
  • Extensions-Slides/st-logo-new.png
  • Extensions-Slides/File-Extensions-1April.pdf
  • Extensions-Slides/File-Extensions-1April.tex