Open the Gaussvieww window by selecting Builder in the main-window View menu. The singlet lies Clicking New in the main-window File menu will create a new View window. Working with Spectra Demonstrates the basics of building molecules in GaussView: MO 7 will appear in the Surfaces Available list and will appear in the View window. Check back regularly as we add new content often. In the main window, click on the Results menu and select Summary.ĭiscusses the controls in the Gaussian Calculation Setup tutoorial, including all of its various panels and buttons. The following choices will set up a triplet-state geometry optimization using density functional theory and the g d basis set. This part of the tutorial uses diatomic molecules to try out computational methods, basis-set selection, and spin specification.
They are all recommended for new to intermediate GaussView users. Save the O 2 molecule as a Gaussian input file. 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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