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Conical intersection dynamics of the primary photoisomerization event in vision
Ever since the conversion of the 11-cis retinal chromophore to its all-trans form in rhodopsin was identified as the primary photochemical event in vision, experimentalists and theoreticians haveExpand
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On the mechanism of the cis-trans isomerization in the lowest electronic states of azobenzene: S0, S1, and T1.
In this paper, we identify the most efficient decay and isomerization route of the S(1), T(1), and S(0) states of azobenzene. By use of quantum chemical methods, we have searched for the transitionExpand
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Charge-transport regime of crystalline organic semiconductors: diffusion limited by thermal off-diagonal electronic disorder.
We propose that the electron transport in crystalline organic semiconductors at room temperature (RT) is neither polaronic nor a combination of thermally activated hopping and polaronic transport, asExpand
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Dynamics of the intermolecular transfer integral in crystalline organic semiconductors.
In organic crystalline semiconductor molecular components are held together by very weak interactions and the transfer integrals between neighboring molecular orbitals are extremely sensitive toExpand
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Electronic states and transitions in C60 and C70 fullerenes.
  • G. Orlandi, F. Negri
  • Chemistry, Medicine
  • Photochemical & photobiological sciences…
  • 17 May 2002
A review of the most relevant aspects of fullerene electronic structure and spectroscopy is presented. Experimental data and their interpretation based on computational results are discussed both forExpand
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Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back.
Deactivation routes of bright ππ* (La) and excimer charge transfer (CT) states have been mapped for two stacked quantum mechanical (CASPT2//CASSCF) adenines inside a solvated DNA double strandExpand
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Measurements of coherent diffraction radiation and its application for bunch length diagnostics in particle accelerators.
Measurements of coherent diffraction radiation from a slit of variable width generated by short electron bunches were performed in millimeter and submillimeter ranges. Experimental data are comparedExpand
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The electronic structure and vibrational frequencies of the stable C76 isomer of D2 symmetry
Abstract We report QCFF/PI quantum chemical calculations of the molecular structure, the vibrational frequencies, and the energy ordering of the states at the onset of the electronic spectrum of theExpand
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The different photoisomerization efficiency of azobenzene in the lowest n pi* and pi pi* singlets: the role of a phantom state.
Azobenzene E<==>Z photoisomerization, following excitation to the bright S(pi pi*) state, is investigated by means of ab initio CASSCF optimizations and perturbative CASPT2 corrections. Specifically,Expand
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