User FAQs

User Guides

Software Introduction

Publications

Literature Citation

Service Newsletters

• NSCCS News
• Magellan News
• Magellan Status
• NSCCS User Guide
• Application Forms
• Help on NSCCS

• NSCCS Applied Computational Chemistry Workshop for Synthetic Organic Chemists
  - 17^th & 18^th April 2012  
  


• 
  
  
  
  Print this page

GaussView

GaussView is the graphical interface for use with the software package Gaussian. GaussView supports all Gaussian 03 features including facilities for generating keywords and options, molecule specifications and other input sections for even the most advanced calculation types. It can be used to visualise Gaussian results such as Infrared spectra, NMR spectra, molecular orbitals, animate vibrational modes, etc.

There are visualisation tutorials available online at: http://faculty.ycp.edu/~jforesma/educ/visual/index.html

The tutorials provide step-by-step guides on how to use GaussView and other third party graphics packages to view Gaussian results. GaussView is the only graphics program that can view all the categories listed below.

• Structures
• Molecular Orbitals
• Electrostatic Potential
• Difference Densities
• Vibrational Frequencies
• NMR Shielding Tensors
• Reaction Pathways

GaussView is available on Magellan and can be accessed by using the runscript $CHEM/rungv. For more details, please read the man page by typing: man rungv

 

Back to Graphical Visualisers & Modellers Guide

EPSRC UK National Service for Computational Chemistry Software, Imperial College London © 2012  |  Contact Us  |  Terms Of Use  |  Disclaimer