Coupled cluster theory: CCD, CCSD, QCISD, BD.Configuration interaction: double (CID) or all single and double excitations (CISD).Møller-Plesset perturbation theory: MP2, MP3, ….Hartree-Fock: closed-shell (RHF), restricted/unrestricted open-shell (ROHF/UHF).Semi-empirical: CNDO, INDO, MINDO/3, MNDO, AM1, PM3.Molecular mechanics: AMBER, DREIDING, UFF force field.(to construct molecular systems to set up and run Gaussian calculations to visualize results.) Introduction to Gaussian 03 GaussView is a full-featured graphical user interface for Gaussian. It can be used to study molecules and reactions, including both stable species and unstable or non-observable such as short-lived intermediates and transition structures. Gaussian predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types.
Overview: What is Gaussian/GaussView Gaussian 03is the latest in the Gaussian series of electronic structure programs. Lesson 4: Some examples Each lesson includes hand-on excises.Materials Simulation Center presents: Introduction to Gaussian 03 Ping Lin
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