![]() | |
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. Geometry optimizations, transition states, and reaction pathsTransition State search IRC Nudged Elastic Band Model Hamiltonians Relativistic Effects Solvents and other environments Molecular properties with ADF Frequencies, IR Intensities Time-Dependent DFT NMR ESR/EPR Electric Field Gradient, NQCC Analysis Bond Energy Analysis ADF-BAND: Periodic Systems TDDFT IN ADF-BAND: Periodic Systems | |