Home
Geometry Optimization Lab Activity
Geometry Optimization Main Page
Students
Introduction
Objectives
Background Reading
Procedure
Questions
Further Work
References/Support Materials
Teachers
Additional Background
Materials
Standards
First year chemistry curriculum concepts
Second year chemistry curriculum concepts
Cartesian Converter Materials
Zmatrix to Cartesian Converter
Cartesian Converter Example
Help Instructions for the Zmatrix to Cartesian Converter
Readings
Overview
Atomic Orbitals
Lab Activities
Zmatrices
Basis Sets
Geometry Optimizations
Ionization Energies
Support Materials
Interactive Tools
Glossary of Terms
Quick Guide to DISCO Output File
Related Links
ChemViz
Computational Chemistry
SUCCEED's Computational Chemistry
Developers' Tools
What's New?
Discussion Board
Team Members
Email the Group
Contact Webmaster

 To understand what a geometry optimization is and why computational
chemists must use optimizations.
 To optimize the geometry for a water molecule using a spreadsheet, the
ZMatrix converter, and the Waltz interface.
