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Feature ReferencesWhen you have used special features, you should include one (or more, as the case may be) lead reference(s) to the implementation. Additional references to related publications are suggested. Frequencies, IR IntensitiesTransition 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 | |