Tuning the ground and excited-state interchromophore interactions in porphyrin-fullerene pi-stacks

Article Abstract:

The porphyrin-fullerene dyads with two separate linkers are studied using time-resolved and steady state spectroscopic methods. The analysis of steady-state spectra in the frame of the Marcus electron theory shows that the electronic coupling matrix element V is highest for the dioxyethyl type of linkers and smaller for the shorter and the longer linkers.

Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Porphyrins, Spectrum analysis, Spectroscopy, Chemistry, Physical and theoretical, Physical chemistry, Atomic properties, Fullerenes

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New advance in computational chemistry: full quantum mechanical ab initio computation of streptavidin-biotin interaction energy

Article Abstract:

The streptavidin-biotin system is one of the most tightly binding complexes for noncovalent binding of a protein and small ligand. An ab-initio computation of interaction energies for streptavidin-biotin binding using a new computational approach at ab initio Hartree-Fock (HF) level is reported.

Protein binding, Density functionals, Density functional theory, Ligands, Ligands (Chemistry), Chemical properties

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