Comparison of Linear Response Theory,Projected Initial Maximum Overlap {Method|Technique|Approach|Strategy|System|Process}, andMolecular Dynamics {Based|Primarily based} Vibronic Spectra:The Case of Methylene Blue
Simulation of optical spectra {is essential|is crucial} to molecular characterization and, in {many|numerous|several|a lot of|quite a few|lots of} {cases|instances|circumstances|situations}, {critical|crucial|vital|essential|important} for interpreting experimental spectra. {The most|Probably the most|Essentially the most|One…