Excited states Ab-initio calculations Ammonia Ammonia complexes Ammonia molecules Basis sets C-F bonds Conical intersection Diamond films Electronic excited state Energy gap Fluorine Good correlations Ground state Hydrogen Hydrogen transfer Intermolecular modes Intermolecular stretching Internal conversions Low-excitation energies Non-radiative deactivations Optimized geometries Organic polymers Ortho-substitution Out-of-plane distortions P cresols Phenols Picoseconds Pump-probe spectroscopy Pumps