XA Report, Table of Contents
Table of Contents
Title
Copyright
Acknowledgment
Abstract
Introduction
Preconditions for creating a pseudo orbital
Creating a pseudo orbital
Part 1
Part 2
Calculating the integral
Formulae for the R Value
Approach
Atom data structure
Modular procedures
Difficulties
User interface
Restrictions
Summary
[Index]
Reinhard Schaffner
, © 1995-05-16