Introduction Citation Tutorials Table of Toolbar Buttons and Menu Paths GaussView Basics Molecules, Molecule Groups and Views Customizing MultiView Windows Animating Multiple Structures Using the Mouse GaussView Menus GaussView Tips
Working with Molecules Placing Elements and Fragments The Element Fragments Palette The R-Group Fragments Palette The Rings Palette The Biological Fragments Palette Inquire Mode Semichem SmartSlides The Bond SmartSlide The Angle SmartSlide The Dihedral SmartSlide Adding and Deleting Valences Invert About Atom (Mirror Invert Cleaning Structures Rebonding Structures Imposing Symmetry All About Selections: From Atoms to Fragments, Residues, Chains and Beyond Selection Keystrokes in View Windows Selecting with the Atom List Editor and Similar Tools Using the Atom Group Editor The Atom Selection Editor
Advanced Building Features Using a Custom Fragment Library The Atom List Editor Assigning MM Charges Using Sublist Filters Defining Isotope Masses and Isotopologues PDB Residue Editor PDB Secondary Structure Editor The Connection Editor The Redundant Coordinate Editor Specifying ONIOM Layers Layer Selection by PDB Residue The Molecular Orbital (MO) Editor Building Periodic Systems with the Crystal Editor Specifying Fragment Placement Behavior
Opening, Displaying and Saving Molecules and Views Centering the Molecule Viewing Optional Display Items Molecule Positioning Tools Molecule Display Formats Customizing Display Colors Adding and Synchronizing Views Selecting View Windows Pasting Molecules into the View Window Adding a Model Opening Existing Models and Other Files Saving Molecules Printing Capturing Images and Saving Image Files Saving Movies Saving Plot and Spectrum Images
Setting up and Running Gaussian Jobs The Gaussian Calculation Setup Window The Job Type Panel The Method Panel The Title Panel The Link 0 Panel The General Panel The Guess Panel The NBO Panel The Solvation Panel The PBC Panel The Additional Input Panel Special Considerations for Various Job Types Transition Structure Optimizations Calculations on Polymers, Surfaces and Crystals Multi-Layer ONIOM Calculations Specifying CASSCF Active Spaces Using Guess=Permute Modifying Redundant Internal Coordinates (Geom=ModRedundant) Freezing Atoms During Geometry Optimizations Normal Modes for Frequency Calculations (Freq=SelectNormalModes) Calculating NMR Spin-Spin Coupling: NMR=(SpinSpin,ReadAtoms) Specifying Fragment-Specific Charges and Spin Multiplicities Setting Defaults for Gaussian Jobs Defining Calculation Schemes The Quick Launch Feature Viewing and Controlling Gaussian Jobs Specifying How the Gaussian Program is Executed
Viewing Gaussian Results Calculation Summary File Stream Viewer Displaying Atomic Charges Displaying Surfaces and Contours Generating Cubes Displaying Surfaces Mapped Surfaces Customizing Surface Displays Displaying Contours Define Plane Displaying Vibrational Modes and IR/Raman Spectra Running FreqChk Viewing the Spectrum Comparing Spectra for Isotopologues Frequency-Dependent Calculation Results Displaying NMR Spectra NMR Spectra Displaying UV-Visible Spectra Optimization Plots IRC Plots Scan Plots Viewing 3D Plots of 2-Variable Scan Calculations Trajectory Plots Plotting Additional Properties Manipulating and Customizing Plots and Spectra Saving Plot Data
GaussView Preferences Building Charge Distribution Clean Controls Colors Desktop (Windows only) Display Format General Panel Molecule Panel Text Panel Surface Panel File/Directory Gaussian Setup Icons Image Job Setup Movie Printing Vibrations Window Behavior
Last update: 23 September 2011
