634 research outputs found

    Baleste M., Boyer J.C., Montagne-Villette S., Gras J., Vareille C, La France, les 22 régions Gamblin A., La France dans ses régions (suite)

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    Gaudray-Coudroy Lydia. Baleste M., Boyer J.C., Montagne-Villette S., Gras J., Vareille C, La France, les 22 régions Gamblin A., La France dans ses régions (suite). In: Revue de géographie de Lyon, vol. 73, n°2, 1998. Dynamiques des grandes régions urbaines : Lyon-Montréal. p. 172

    Deux Recueils de Statistiques : I. N. S. E. E., Tableaux de l'Économie française ; J. Beaujeu-Garnier et A. Gamblin, Images économiques du Monde, 1957

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    Taillefer François. Deux Recueils de Statistiques : I. N. S. E. E., Tableaux de l'Économie française ; J. Beaujeu-Garnier et A. Gamblin, Images économiques du Monde, 1957. In: Revue géographique des Pyrénées et du Sud-Ouest, tome 29, fascicule 2, 1958. pp. 166-167

    The interaction energies of the Rg.NO+ cationic complexes: Rn.NO+

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    The equilibrium geometry and harmonic vibrational frequencies of Rn . NO+ are calculated at the QCISD level of theory, employing an effective core potential augmented by a large, flexible diffuse and polarization valence space. The interaction energy is then calculated at the CCSD(T) level using a larger basis set based on a different ECP. The trends in the bonding in the Rg . NO+ complexes (Rg = rare gas) are then noted, and it is confirmed that the major interaction in these species is the charge/induced-dipole interaction

    Baleste M., Boyer J.C., Montagne-Villette S., Gras J., Vareille C, La France, les 22 régions Gamblin A., La France dans ses régions

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    Prost Brigitte. Baleste M., Boyer J.C., Montagne-Villette S., Gras J., Vareille C, La France, les 22 régions Gamblin A., La France dans ses régions. In: Revue de géographie de Lyon, vol. 73, n°2, 1998. Dynamiques des grandes régions urbaines : Lyon-Montréal. p. 150

    Na2O and Na2O+: Thermodynamics and low-lying electronic states

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    High-level [up to RCCSD(T)/aug-cc-pV5S'//RCCSD/aug-cc-pVQZ'] ab initio calculations are performed on Na2O and Na2O+ (where the 'indicates a nonstandard aug-cc-pVXZ basis set). The electronic groundstate equilibrium geometries are found to be linear in both cases. The heats of formation, Delta H-f(298)(Na2O) and Delta Hf-298(Na2O+), are derived, with the recommended values being Delta H-f(298)(Na2O) = -5.5 +/- 1.0 kcal mol(-1) and Delta H-f(298)(Na2O+) = 106.7 +/- 0.5 kcal mol(-1), respectively. It is found that large basis sets, the RCCSD(T) method, and appropriate account of basis set superposition error (BSSE) are necessary in order to obtain reliable results. S-298 for Na2O and Na2O+ are also calculated giving 67 and 63 cal K-1 mol(-1), respectively. The calculations also yield Delta H-a(298)(Na2O)= 115.5 +/- 1 kcal mol(-1) and Do(NaO Na) = 52 +/- 1 kcal mol(-1) The adiabatic ionization energy of Na2O is calculated as 4.86 +/- 0.02 eV and corresponds to the process Na2O+((XIIu)-I-2) + e(-) <-- Na2O(X(1)Sigma(g)(divided by)); the corresponding vertical ionization energy is calculated to be 5.00 +/- 0.02 eV. The ground state of Na2O+ is established as the (IIu)-I-2 state, with the A(2)Sigma(u)(+) state lying ca. 0.65 eV above. The low:lying triplet states of Na2O are briefly considered. The implication of the present results on the mass spectrometry of the vapor above Na2O is discussed

    Nasal self-swabbing for estimating the prevalence of Staphylococcus aureus in the community

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    Staphylococcus aureus remains a significant cause of morbidity and mortality and therefore a burden on healthcare systems. Our aim was to estimate the current rate of nasal S. aureus carriage in the general population and to determine the feasibility of nasal self-swabbing. Two thousand people (1200 adults and 800 children) from a single NHS general practice in Southampton UK were randomly selected from a GP age sex register, stratified by age and sex, and invited to undertake nasal self-swabbing in their own home. Overall, 362 (32.5%) adult and 168 (22%) child swabs were returned. Responses were greater for adults, increased age, female gender and decreasing socio-economic deprivation. The overall estimated practice carriage rate of S. aureus directly standardised for age sex was 28% (95% CI 26.1% to 30.2%). Carriage of meticillin-susceptible S. aureus was 27% (95% CI 26.1% to 30.2%) whilst that of meticillin resistant S. aureus was 1.9% (95% CI 0.7% to 3.1%). Although nasal self-swabbing rates were relatively low, they are comparable to other studies and may allow large population-based carriage studies to be undertaken at relatively low cost. Importantly, this study updates prevalence data for S. aureus carriage in the community

    The (A)over-tilde <-(X)over-tilde(1+1)REMPI spectrum and high-level ab initio calculations of the complex between NO and N-2

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    The results of two separate studies of the complex between NO and N-2 are reported. The (1+1) REMPI spectrum of the (A) over tilde <--(X) over tilde transition of the complex between NO and N-2 is presented of improved quality over that reported previously, and the appearance of the spectrum is discussed. The results of high-level ab initio calculations [RCCSD(T)/aug-cc-pVQZ//QCISD/6-311+G(2d)] on the (X) over tilde (2)Pi state are also reported. The indications are that the NO moiety is more freely rotating in the complex than is N-2, and that a wide angular space is sampled in the zero-point energy level. The appearance of the REMPI spectrum suggests that the (A) over tilde (2)Sigma (+) state is (close to) linear, and RCCSD(T)//QCISD calculations on the (A) over tilde state, using Rydberg-function-augmented basis sets, suggest that the lowest energy linear isomer is the ON .N-2 linear orientation. It is clear, however, that the understanding of this complex, and its spectroscopy, is far from complete, and will be challenging

    Angle resolved photoelectron spectroscopy of O-2(a(1)Delta(g)) with synchrotron radiation

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    Angular distribution of photoelectrons for the photoionization processes O-2(+)(X (2)Pi(g), upsilon(+) = 0-3) + e(-) <-- O-2(a(1) Delta(g)) + h nu has been studied at the photon energy of 21.22 eV and in the photon energy range 13.8-15.2 eV where the cross-sections for these processes show strong enhancement due to the presence of resonant transitions to a Rydberg state (C (2)Phi(u),3s sigma(g))p (1)Phi(u). It has been found that the plot of the asymmetry parameter, beta, against photon energy shows structure at energies corresponding to O-2(p (1)Phi(u)upsilon(')) <-- O-2(a (1)Delta(g)upsilon " = 0) excitations. The O-2(+)(X (2)Pi(g),upsilon(+)) <-- O-2(a (1)Delta(g),upsilon " = 0) ionizations have also been investigated in the photon energy range 18.0-19.2 eV, where the presence of unassigned resonances was observed in earlier photoelectron spectroscopic work. In this energy range the plot of asymmetry parameter against photon energy also shows resonant structure. Suggestions for the excited states associated with these resonances have been made on the basis of constant-ionic-state spectra recorded at different angles
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