Publications by authors named "Alok Kumar Samanta"
Experimental results for optically controlled electron-transfer reaction kinetics (ETRK) and nonequilibrium solvation dynamics (NESD) of Coumarin 480 in DMPC vesicle show their dependence on excitation wavelength λ. However, the celebrated Marcus theory and linear-response-theory-based approaches for ETRK and NESD, respectively, predict both of the processes to be independent of λ. The above said lacuna in these theories prompted us to develop a novel theory in 1D space, where the effect of innumerable Franck-Condon states is included through λ.
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- The study presents calculated vertical detachment energies (VDEs) for differently sized nitrate-water clusters using various theoretical methods like HF, B3LYP, MP2, and CCSD(T).
- It finds that certain calculations (B3LYP and CCSD(T)) closely match the experimentally obtained VDE values.
- The research also suggests that calculated VDEs for small solvated clusters, combined with a general theoretical expression, can help estimate VDEs for larger clusters, including bulk materials.