Browsing by Subject "Quantum Theory"

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Dicyano and pyridine derivatives of ß-carotene: synthesis and vibronic, electronic, and photophysical properties

Cruz, Arvin John Filoteo; Siam, Khamis; Rillema, D. Paul (American Chemical Society, 2011-02-17)

Density functional theory and time-dependent density functional theory calculations provide pictures of the molecular orbitals involved in the ground and excited states of two cyano derivatives of 8′-apo-β-caroten-8′-al ...
Photosynthetic reaction center mimicry: low reorganization energy driven charge stabilization in self-assembled cofacial zinc phthalocyanine dimer-fullerene conjugate

D'Souza, Francis; Maligaspe, Eranda; Ohkubo, Kei; Zandler, Melvin E.; Subbaiyan, Navaneetha K.; Fukuzumi, Shunichi (American Chemical Society, 2009-07-01)

By employing well-defined self-assembly methods, a biomimetic bacterial photosynthetic reaction center complex has been constructed, and photoinduced electron transfer originating in this supramolecular donor-acceptor ...

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