Abbreviations

AM1

Austin Model 1

CI

Configuration Interaction

CRF

Core/Core Repulsion Function

CSR

Configuration of Spin Function

EF

Eigenvector Following

ESP

Electrostatic Potential

GUI

Graphical User Interface

HE

Half-Electron

HF

Hartree-Fock

HOMO

Highest Occupied Molecular Orbital

IP

Ionization Potential

IR

Infra-red

IRC

Intrinsic Reaction Coordinate

LUMO

Lowest Occupied Molecular Orbital

MBSP

Molecular Basis Set for Parameterization

ME

Multipole Expansion

MERP, MEP

Minimum Energy Reaction Pathway

MINDO3

Modified Intermediate Neglect of Differential Overlap, V. 3

MNDO

Modified Neglect of Differential Overlaps Method

MNDO/d

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

MD

Molecular Dynamics

MM

Molecular Mechanics

MO

Molecular Orbital

NDDO

Neglect of Diatomic Differential Overlap

NEV

Negative Eigenvalues

PES

Potential Energy Surface

PM3

Parameterization Model 3

PM6

Parameterization Model 6

RHF

Restricted Hartree-Fock

RM1

Recife Model 1

SAM1

Semi-ab initio Method Version 1

SAM1D

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

SCF

Self Consistent Field

SMx

Solvation Model x

TERI

Two Electron Repulsion Integral

TS

Transition State

TV

Transition Vector

UHF

Unrestricted Hartree-Fock

ZPE

Zero Point Energy