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). The tutorial is. Lets start by opening GaussView and a new document (File; New; Create. MolGroup) In this part of the tutorial we will explore how to make and adjust bonds. This tutorial will walk you through your first Gaussian calculation. You will be using the graphical interface called GaussView. Follow the instructions below.
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You will learn how to set up any type of Gaussian calculation you desire, including specifying additional input sections that may be required. These videos may be viewed in any order. Check back regularly as we add new content often.
The calculation results should show that the singlet bond length tutorlal 1. The videos in this series are for beginning users of GaussView.
The Surfaces and Contours window will open, but will not list any available surfaces. Demonstrates the basics of building molecules in GaussView: Open the Builder window by selecting Builder in the main-window View menu. Go to the Surfaces and Contours Window. The bond length will be 1.
Gaussview and Gaussian Tutorial
All of our videos are on our YouTube channel. The first three videos are best viewed in order.
This part of the tutorial uses diatomic molecules to try out computational methods, basis-set selection, and spin specification. Discusses the controls in the Gaussian Calculation Setup dialog, including all of its various panels and buttons. We always announce new videos on our LinkedIn blog and our Twitter feed. It should be 1.
Gaussian & GaussView Tutorial Videos
Initially two or three windows will be displayed: When the calculation is complete, GaussView will suggest opening the results the “chk” file. They cover very basic concepts and operations with the application. Clicking New in the main-window File menu will create a new View window.
The only setting to change is the Spin, from triplet to singlet. N 2 Create a nitrogen molecule in the View window. The descriptions on that site contain detailed tables of contents for each video, including section timestamps. Japanese Translation of ExpChem3 Scuseria: Save the O 2 molecule as a Gaussian input file.
The energy unit “au” stands for the atomic unit of energy, which is Hartrees. Gqussview the fundamentals of using GaussView 6: Selecting Vibrations from the main-window Results menu will calculate and then display the vibration frequency, plus a calculated IR spectrum. They are all recommended for new to intermediate GaussView users.
The bond length is 1. Describes convenience features for G16 job setup: The singlet lies The videos can be viewed in any order. The videos in this series are for intermediate to advanced users of Gaussian and GaussView.
Save the N 2 molecule.