Contents References
Table of Contents
General References
.. ADF
.. BAND
.. COSMO-RS
.. ADF-GUI and BAND-GUI
Feature References ADF
.. Coordinates, basis sets, fragments
.. Geometry optimizations, transition states, and reaction paths
.. Model Hamiltonians
.. Molecular properties with ADF
.. Analysis
Feature References BAND
.. Geometry optimization
.. TDDFT
External programs and Libraries used by ADF
Solvents and other environments
COSMO: Conductor like Screening Model
QM/MM: Quantum mechanical and Molecular Mechanics model
FDE: Frozen Density Embedding
DRF: Discrete Solvent Reaction Field model
SCRF: Self-Consistent Reaction Field
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