1. Tryptophan - gas phase tautomer
Starting geometry
H-atom transfer during the optimization in gas-phase

2. Tryptophan in water
Starting geometry
Optimized geometry in water

3. Tryptophan excited state
Absorption spectrum

4. Tryptophan excited state
Emission spectrum

5. Tryptophan excited state
Absorption and emission spectra; Fluorescence lifetime

7. Calculated absorption spectrum
B3LYP/6-31++G(2d,2p)
cam-B3LYP/6-31++G(2d,2p)

8. Calculated emission energy and radiative lifetime
cam-B3LYP/6-31++G(2d,2p)