GaussView 6 GMMX Plugin: VCD Spectrum Case Study
Автор: Gaussian, Inc.
Загружено: 2020-06-03
Просмотров: 6107
In this case study, we will be examining the linear diterpenoid elegandiol, and use GaussView 6 and the GMMX Plugin to perform a conformational search and predict a Boltzmann-averaged VCD spectrum.
0:00 Case Study introduction
0:30 The VCD Experiment
0:50 Study Procedure
1:26 Beginning/GMMX Conformer Calculation setup
4:17 GMMX Output
4:40 Viewing energies
4:57 Current Study Progress
5:04 Low-level optimization
6:41 Working with the Molecule Group Table
8:06 Current Study Progress
8:11 High-level optimization
8:16 Current Study Progress
8:35 Freq+VCD
9:57 Mixture Editor
11:00 Study Summary
GaussView 6 is a chemistry modeling software for the Gaussian 16 program produced by Gaussian, Inc.
For more information, please visit http://www.gaussian.com
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