GaussView 4.0

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Visualising Results

GaussView can graphically display a variety of Gaussian calculation results, including the following:

• Molecular orbitals
• Atomic charges
• Surfaces from the electron density, electrostatic potential, NMR shielding density, and other properties. Surfaces may be displayed in solid, translucent and wire mesh modes.
• Surfaces can be colored by a separate property.
• Animation of the normal modes corresponding to vibrational frequencies.
• Animation of the steps in geometry optimisations, potential energy surface scans, intrinsic reaction coordinate (IRC) paths, and molecular dynamics trajectories from BOMD and ADMP calculations.

• Reaction Paths
• Pricing