Triaxial Superdeformation in 163 Lu

Abstract High-spin states in 163 Lu have been investigated using the Euroball spectrometer array. The previously known superdeformed band has been extended at low and high energies, and its connection to the normal-deformed states has been established. From its decay the mixing amplitude and interaction strength between superdeformed and normal states are derived. In addition, a new band with a similar dynamic moment of inertia has been found. The experimental results are compared to cranking calculations which suggest that the superdeformed bands in this mass region correspond to shapes with a pronounced triaxiality ( γ ≈±20°)

Lead Substitution in Synaptotagmin: A Case Study

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Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands

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Progress Towards Accurate Molecular Modeling of Metal Complexes Using Polarizable Force Fields

International audienceWe present refinements of the SIBFA (Sum of Interaction Between Fragments ab initio) and GEM (Gaussian electrostatic Model) polarizable molecular mechanics procedure to represent the intermolecular interaction energies of metal cations. Improved forces fields for closed‐shell, open‐shell and heavy metals are discussed. Some perspectives towards a multiscale SIBFA‐GEM approach using density fitting techniques are presented

Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields

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Effect of Molecular Orientation on Photovoltaic Efficiency and Carrier Transport in a New Semiconducting Polymer

New functionalized soluble poly(p-phenylene vinylene) derivative bearing polar molecules was designed and synthesized in order to investigate effects of molecular orientation in polymer photovoltaic devices. The active polar molecule is the 4-(N-butyl-N-2-hydroxyethyl)-1- nitro-benzene group. The grafting of the push-pull molecule with a donor/transmitter/acceptor structure, possessing a large ground state dipole moment, enables the molecular orientation by a dc electric field. An internal electric field stored in such system facilitates exciton dissociation and improves charge transport in single-layer devices. In our systems an increase in the external quantum efficiency by a factor of about 1.5 to 2 is estimated. The associated effects of orientation on the carrier injection and transport properties were evidenced

Effect of Molecular Orientation on Photovoltaic Efficiency and Carrier Transport in a New Semiconducting Polymer

New functionalized soluble poly(p-phenylene vinylene) derivative bearing polar molecules was designed and synthesized in order to investigate effects of molecular orientation in polymer photovoltaic devices. The active polar molecule is the 4-(N-butyl-N-2-hydroxyethyl)-1- nitro-benzene group. The grafting of the push-pull molecule with a donor/transmitter/acceptor structure, possessing a large ground state dipole moment, enables the molecular orientation by a dc electric field. An internal electric field stored in such system facilitates exciton dissociation and improves charge transport in single-layer devices. In our systems an increase in the external quantum efficiency by a factor of about 1.5 to 2 is estimated. The associated effects of orientation on the carrier injection and transport properties were evidenced