They are all recommended for new to intermediate GaussView users.ĭescribes convenience features for G16 job setup: When the calculation is complete, GaussView will suggest opening the results the “chk” file. All of our videos are on our Gasusview channel. This part of the tutorial uses diatomic molecules to try out computational methods, basis-set selection, and spin specification. Covers examining basic results from Gaussian calculations: It should be 1. The following choices will set up a triplet-state geometry optimization using density functional theory and the tutoriao d basis set. MO 7 will appear in the Surfaces Available list and will appear in the View window. The energy unit “au” stands for the atomic gaussciew of energy, which is Hartrees. Japanese Translation of ExpChem3 Scuseria: The videos in this series are for beginning users of GaussView. You will be using the graphical interface called GaussView. This tutorial will walk you through your first Gaussian calculation. MolGroup) In this part of the tutorial we will explore how to make and adjust bonds.
Lets start by opening GaussView and a new document (File New Create. This is a quick tutorial that will help you to make your way through the first steps of computational chemistry using Gaussian 09W software (G09).
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