![]() Wait a few hours after you submit the application to check this, however. You can tell if you have been approved to use Gaussian now or in the past by running the command groups and seeing if gaussian is listed. An application for getting access to Gaussian must be submitted and approved before one can start using the product this requires logging in with your BU login ID and Kerberos password. Both versions are only available to Boston University faculty, students and staff. Gaussian 09 and Gaussian 16 are available on the Shared Computing Cluster (SCC). ![]() Highlights: Powerful computational chemistry package. GaussView is a graphical user interface designed to be used with Gaussian to make calculations easier, quicker and more efficient. It can predict properties of molecules and reactions including: molecular energies and structures, energies and structures of transition states, vibrational frequencies, IR and Raman spectra, thermochemical properties, bond and reaction energies, reaction pathways, molecular orbitals, atomic charges, multipole moments, NMR shielding and magnetic susceptibilities, vibrational circular dichroism intensities, electron affinities and ionization potentials, polarizabilities and hyperpolarizabilities, and electrostatic potentials and electron densities. Gaussian is a general purpose electronic structure package for use in computational chemistry. ![]()
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