Table of Contents
ReferencesGeneral References
Feature References
Frequencies, IR Intensities
Transition State search
Analytical Second Derivatives (SD PROGRAM)
IRC
ADF-BAND: Periodic Systems
TDDFT IN ADF-BAND: Periodic Systems
Solvent Effects
QM/MM
Relativistic Corrections
ZORA
Pauli
Bond Energy Analysis
Time-Dependent DFT: Response Properties
Excitation Energies and Oscillator Strengths
Polarizabilities
Hyperpolarizabilities
Dispersion Coefficients
Raman Scattering
Circular Dichroism (CD)
Optical Rotation (OR), Optical Rotation Dispersion (ORD)
ESR/EPR parameters
G-tensor: Zeeman interaction
A-tensor: Nuclear magnetic dipole hyperfine interaction
Electric Field Gradient, NQCC
NMR Chemical Shifts
NMR spin-spin coupling
