Table of Contents
ReferencesTable of Contents
General References
Feature References
Geometry optimizations, transition states, and reaction paths
Transition State search
IRC
Nudged Elastic Band
Model Hamiltonians
Relativistic Effects
ZORA
Pauli
Solvents and other environments
COSMO
QM/MM
FDE
DRF
MM Dispersion
Molecular properties with ADF
Frequencies, IR Intensities
Numerical Differentiation of Gradients
Analytical Second Derivatives
Time-Dependent DFT
Excitation Energies and Oscillator Strengths
Polarizabilities
Hyperpolarizabilities
Dispersion Coefficients
Raman Scattering
Circular Dichroism (CD)
Optical Rotation (OR), Optical Rotation Dispersion (ORD)
NMR
NMR Chemical Shifts
NMR spin-spin coupling
ESR/EPR
G-tensor: Zeeman interaction
A-tensor: Nuclear magnetic dipole hyperfine interaction
Electric Field Gradient, NQCC
Analysis
Bond Energy Analysis
ADF-BAND: Periodic Systems
TDDFT IN ADF-BAND: Periodic Systems
