Understanding how specific protein environments affect the mechanisms of non-radiative energy dissipation within densely assembled chlorophylls in photosynthetic protein complexes is of great interest to the construction of bioinspired solar energy conversion devices. Mixing of charge-transfer and excitonic states in excitonically interacting chlorophylls was implicated in shortening excited st...

In photosynthesis absorbed sun light produces collective excitations (excitons) that form a coherent superposition of electronic and vibrational states of the individual pigments. Two-dimensional (2D) electronic spectroscopy allows a visualization of how these coherences are involved in the primary processes of energy and charge transfer. Based on quantitative modeling we identify the exciton-v...

Multifragmentation of quasiprojectiles was studied in reactions of Si beam with Sn and Sn targets at projectile energies 30 and 50 MeV/nucleon. The quasiprojectile observables were reconstructed using isotopically identified charged particles with Zf ≤ 5 detected at forward angles. The nucleon exchange between projectile and target was investigated using isospin and excitation energy of reconst...

A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He) is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC) approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB) method. Comparison is made am...

In this article we present a multistate continuum theory for multiple charge transfer reactions such as proton-coupled electron transfer and multiple proton transfer reactions. The solute is described with a multistate valence bond model, the solvent is represented as a dielectric continuum, and the transferring protons are treated quantum mechanically. This theory provides adiabatic free energ...

Tunneling spectroscopy has been used to detect the photoexcitation of charge carriers in the wide band-gap semiconductors, ZnO and cubic SiC. Because the process is energy sensitive, valence-toconduction hand or defect charge transfer transitions may be selectively excited and detected with the scanning tunneling microscope. Two types of transitions were detected which change the tunneling resp...

Objective(s): Adsorption of IMMUCILLIN-A (BCX4430) molecule on the pristine and N-doped TiO2 anatase nanoparticles were studied using the density functional theory (DFT) calculations. The adsorption energy analysis indicated that TiO2+IMMUCILLIN-A complexes including OC-substituted TiO2 have higher adsorption energy than the complexes with OT substituted TiO2, thus providing mo...

Tunneling spectroscopy has been used to detect the photoexcitation of charge carriers in the wide band-gap semiconductors, ZnO and cubic SiC. Because the process is energy sensitive, valence-toconduction hand or defect charge transfer transitions may be selectively excited and detected with the scanning tunneling microscope. Two types of transitions were detected which change the tunneling resp...