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Creating and running a simple DFT calculation in GaussView / Gaussian

Gregory Beran

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Creating and running a simple DFT calculation in GaussView / Gaussian

33 982 просмотра · 7 лет назад
Gregory Beran
2,72 тыс. подписчиков
33 982 просмотра · 7 лет назад
A demonstration of how one can use GaussView 5 and Gaussian 09 to perform a density functional theory geometry optimization and harmonic frequency calculation