Understanding thio-effects in simple phosphoryl systems : role of solvent effects and nucleophile charge.

Recent experimental work (J. Org. Chem., 2012, 77, 5829) demonstrated pronounced differences in measured thio-effects for the hydrolysis of (thio)phosphodichloridates by water and hydroxide nucleophiles. In the present work, we have performed detailed quantum chemical calculations of these reactions, with the aim of rationalizing the molecular bases for this discrimination. The calculations highlight the interplay between nucleophile charge and transition state solvation in SN2(P) mechanisms as the basis of these differences, rather than a change in mechanism

Comportamento de cultivares de milho no Estado de Sergipe: II ensaios de rendimento, 1986 e 1987.

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Comportamento de cultivares de sorgo forrageiro no Estado de Sergipe.

bitstream/item/81722/1/CPATC-COM.-TEC.-25-88.pd

Berry phases and zero-modes in toroidal topological insulator

An effective Hamiltonian describing the surface states of a toroidal topological insulator is obtained, and it is shown to support both bound-states and charged zero-modes. Actually, the spin connection induced by the toroidal curvature can be viewed as an position-dependent effective vector potential, which ultimately yields the zero-modes whose wave-functions harmonically oscillate around the toroidal surface. In addition, two distinct Berry phases are predicted to take place by the virtue of the toroidal topology.Comment: New version, accepted for publication in EPJB, 6 pages, 1 figur

Avaliação de cultivares de sorgo forrageiro no Estado de Sergipe: I comportamento de progênies avançadas em Nossa Senhora da Glória, Gararu e Propriá.

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Avaliação de cultivares de híbridos de sorgo forrageiro na região semi-árida de Sergipe.

bitstream/item/91487/1/CPATC-PESQ.-AND.-34-85.pd