Abbreviations

Austin Model 1

Configuration Interaction

Core/Core Repulsion Function

Configuration of Spin Function

Eigenvector Following

Electrostatic Potential

Graphical User Interface

Half Electron

Hartree-Fock

Highest Occupied Molecular Orbital

Ionization Potential

Infra-red

Intrinsic Reaction Coordinate

Lowest Occupied Molecular Orbital

Molecular Basis Set for Parameterization

Multipole Expansion

Minimum Energy Reaction Pathway

Modified Intermediate Neglect of Differential Overlap, V. 3

Modified Neglect of Differential Overlaps Method

Modified Neglect of Differential Overlaps (MNDO) Method with d-orbitals

Molecular Dynamics

Molecular Mechanics

Molecular Orbital

Neglect of Diatomic Differential Overlap

Negative Eigenvalues

Potential Energy Surface

Parameterization Model 3

Restricted Hartree-Fock

Semi-ab initio Method Version 1

Semi-ab initio Method Version 1 (SAM1) with d-orbitals

Self Consistent Field

Solvation Model x

Two Electron Repulsion Integral

Transition State

Transition Vector

Unrestricted Hartree-Fock

Zero Point Energy