8 resultados para Di-acceptor cyclopropane

em Universitat de Girona, Spain


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Esta comunicación se ocupa de la descripción del papel de los servicios de tutoría en las instituciones de educación superior de los dos países estudiados: España e Italia. Después de una breve descripción general sobre los principales elementos presentes en este tema (Tutoría universitaria) se realiza la exposición de dos estudios de caso. El primero realizado en la universidad española de Santiago de Compostela y el segundo en la universidad italiana de Turín. A través de los estudios de caso se expone en primer lugar, de modo general, la situación en este ámbito a nivel legal y organizativo en ambos países y a continuación, de modo particular, la situación en las dos universidades elegidas. Ambas instituciones están realizando, en el ámbito de orientación universitaria en general y de la tutoría en particular, avances importantes y muestran un fuerte compromiso en relación con este aspecto. Por último concluimos el artículo realizando una breve síntesis de los aspectos tratados y presentando diferentes interrogantes que puedas suscitar el debate y la reflexión sobre los puntos fuertes y débiles de cada uno de los sistemas de tutoría y su posible transferencia y adaptabilidad a diferentes contextos

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Comparison of donor-acceptor electronic couplings calculated within two-state and three-state models suggests that the two-state treatment can provide unreliable estimates of Vda because of neglecting the multistate effects. We show that in most cases accurate values of the electronic coupling in a π stack, where donor and acceptor are separated by a bridging unit, can be obtained as Ṽ da = (E2 - E1) μ12 Rda + (2 E3 - E1 - E2) 2 μ13 μ23 Rda2, where E1, E2, and E3 are adiabatic energies of the ground, charge-transfer, and bridge states, respectively, μij is the transition dipole moments between the states i and j, and Rda is the distance between the planes of donor and acceptor. In this expression based on the generalized Mulliken-Hush approach, the first term corresponds to the coupling derived within a two-state model, whereas the second term is the superexchange correction accounting for the bridge effect. The formula is extended to bridges consisting of several subunits. The influence of the donor-acceptor energy mismatch on the excess charge distribution, adiabatic dipole and transition moments, and electronic couplings is examined. A diagnostic is developed to determine whether the two-state approach can be applied. Based on numerical results, we showed that the superexchange correction considerably improves estimates of the donor-acceptor coupling derived within a two-state approach. In most cases when the two-state scheme fails, the formula gives reliable results which are in good agreement (within 5%) with the data of the three-state generalized Mulliken-Hush model

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In this study we report on the electronic and vibrational (hyper)polarizabilities of donor–acceptorsubstituted azobenzene. It is observed that both electronic and vibrational contributions to the electric dipole first hyperpolarizability of investigated photoactive molecule substantially depend on the conformation. The contributions to the nuclear relaxation first hyperpolarizability are found to be quite important in the case of two considered isomers (cis and trans). Although the double-harmonic term is found to be the largest in terms of magnitude, it is shown that the total value of the nuclear relaxation contribution to vibrational first hyperpolarizability is a result of subtle interplay of higher-order contributions. As a part of the study, we also assess the performance of long-range-corrected density functional theory in determining vibrational contributions to electric dipole (hyper)polarizabilities. In most cases, the applied long-range-corrected exchange correlation potentials amend the drawbacks of their conventional counterparts

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Ressenya del llibre 'La catalogazione dei manoscriti miniati come strumento di conoscenza. Esperienze, metodologia, prospettive', a cura di Silvia Maddalo e Michela Torquati, publicat per Istituto Storico per il Medio Evo l'any 2010. Comentari a les actes d'un congrés que es va celebrar l'abril del 2009 a Viterbo sobre la catalogació de manuscrits

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