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81.
Electron spin resonance has been observed for Fe3+ and Mn2+ ions occupying sites with trigonal symmetry in undoped and doped Verneuil-grown crystals of the ilmenite type compound MgTiO3. At 300 K, the fine structure parameters in the spin Hamiltonian are (in 10?4cm?1) D = +844 (± 1), (a? F) = +118 (± 1), a = 69 (± 7) for Fe3+ and D = +164 (± 1), (a ? F) = +10.2 (± l), a = 7.0 (± 1) for Mn2+. These values are compared with literature data for Fe3+ and Mn2+ in other oxides, especially Al2o3, with particular reference to the recent “superposition” theory of the effect of a trigonal distortion. From the orientation of the axes of cubic pseudosymmetry of the spin Hamiltonian, and with the assumption that a has the same sign for both ions, it is proposed that Fe3+ and Mn2+ occupy the same octahedral site, namely the Mg2+ site. Anomalous line splittings observed for one sample were attributed to twinning on (0001) or {1120} planes. 相似文献
82.
Diode laser spectroscopy has been employed to monitor the formation of chlorine nitrate (ClONO2) in the association reaction of ClO with NO2. Chlorine nitrate is the only stable end-product of this reaction at room temperature. Time-resolved measurements of ClONO2 formation using molecular modulation showed no evidence for any involvement of unstable isomers of ClNO3 in the reaction. These measurements gave a value of k1 = (1.8 ± 0.4) × 10?31 cm6/molecule2 · s for the reaction at 295 K and an upper limit of 5 ms for the lifetime of any isomeric products at this temperature. 相似文献
83.
Lawrence E. Cox David M. Hercules 《Journal of Electron Spectroscopy and Related Phenomena》1973,1(3):193-207
X-ray photoelectron (ESCA) spectra of the core (Cl 2p K 2p and metal 4f, if present) and valence orbitals are reported for K2ReCl6, K2OsCl6, K2IrCl6· 3 H2O, K2PtCl6, K3MoCl6, and K2SnCl6. The K 2p binding energy was found to be nearly constant (292.7 eV) and that of Cl to increase very slightly with increasing atomic number for the third row transition metals. The chemical shifts of Re(IV), Os(IV), Ir(IV), and Pt(IV) relative to the metals were in qualitative agreement with atomic calculations utilizing configurations obtained from extended Hückel calculations. The valence spectra of the transition metal complexes exhibit a three-band structure. On the basis of MO results and intensity considerations the high binding energy band is assigned as a composite of the a1g, eg, 1t2g MO's. The middle band represents the t2u, 2t1g MO's; and the low binding energy band the 2t2g MO. Calculated nd orbital photoionization cross sections correlate reasonably well with the relative intensifies of the valence manifolds. Comparison of band separations and charge-transfer transition energies suggests that interelectronic repulsion and MO energy separation contribute about equally to the overall charge-transfer energy. 相似文献
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86.
We determine the local structure of isolated positively charged muonium (Mu+) in heavily doped p-type GaAs based on muon level crossing resonance and zero applied field muon spin depolarization data. These measurements provide the first direct experimental confirmation that Mu+, and by analogy H+, is located within a stretched Ga-As bond. The distances between Mu+ and the nearest neighbor Ga and As atoms are estimated to be 1.83 +/- 0.10 A; and 1.76 +/- 0.10 A, respectively. These results are compared to existing theoretical calculations on the structure of hydrogen in GaAs and additionally provide data on the induced electric field gradients. 相似文献
87.
Graham A. ?Cox Thomas V. ?Mortimer-Jones Robert P. ?Taylor Roy L. ?JohnstonEmail author 《Theoretical chemistry accounts》2004,112(3):163-178
Determination of the native state of a protein from its amino acid sequence is the goal of protein folding simulations, with potential applications in gene therapy and drug design. Location of the global minimum structure for a given sequence, however, is a difficult optimisation problem. In this paper, we describe the development and application of a genetic algorithm (GA) to find the lowest-energy conformations for the 2D HP lattice bead protein model. Optimisation of the parameters of our standard GA program reveals that the GA is most successful (at finding the lowest-energy conformations) for high rates of mating and mutation and relatively high elitism. We have also introduced a number of new genetic operators: a duplicate predator—which maintains population diversity by eliminating duplicate structures; brood selection—where two parent structures undergo crossover and give rise to a brood of (not just two) offspring; and a Monte Carlo based local search algorithm—to explore the neighbourhood of all members of the population. It is shown that these operators lead to significant improvements in the success and efficiency of the GA, both compared with our standard GA and with previously published GA studies for benchmark HP sequences with up to 50 beads. 相似文献
88.
89.
Alexopoulos T Arenton M Barbosa RF Barker AR Bellantoni L Bellavance A Blucher E Bock GJ Cheu E Childress S Coleman R Corcoran MD Cox B Erwin AR Ford R Glazov A Golossanov A Graham J Hamm J Hanagaki K Hsiung YB Huang H Jejer V Jensen DA Kessler R Kobrak HG Kotera K LaDue J Ledovskoy A McBride PL Monnier E Nelson KS Nguyen H Niclasen R Prasad V Qi XR Ramberg EJ Ray RE Ronquest M Santos E Shanahan P Shields J Slater W Smith D Solomey N Swallow EC Toale PA Tschirhart R Wah YW Wang J White HB 《Physical review letters》2004,93(18):181802
We present a determination of the Cabibbo-Kobayashi-Maskawa parameter |V(us)| based on new measurements of the six largest K(L) branching fractions and semileptonic form factors by the KTeV (E832) experiment at Fermilab. We find |V(us)|=0.2252+/-0.0008(KTeV)+/-0.0021(ext), where the errors are from KTeV measurements and from external sources. We also use the measured branching fractions to determine the CP violation parameter |eta(+-)|=(2.228+/-0.005(KTeV)+/-0.009(ext))x10(-3). 相似文献
90.
Alavi-Harati A Alexopoulos T Arenton M Arisaka K Barbosa RF Barker AR Barrio M Bellantoni L Bellavance A Blucher E Bock GJ Bown C Bright S Cheu E Coleman R Corcoran MD Cox B Erwin AR Escobar CO Ford R Glazov A Golossanov A Gouffon P Graham J Hamm J Hanagaki K Hsiung YB Huang H Jejer V Jensen DA Kessler R Kobrak HG Kotera K LaDue J Lai N Ledovskoy A McBride PL Monnier E Nelson KS Nguyen H Prasad V Qi XR Quinn B Ramberg EJ Ray RE Santos E Senyo K Shanahan P Shields J Slater W Solomey N Swallow EC 《Physical review letters》2003,90(14):141801
The KTeV experiment at Fermilab has isolated a total of 132 events from the rare decay K(L)-->e+ e- mu+ mu-, with an estimated background of 0.8 events. The branching ratio of this mode is determined to be [2.69+/-0.24(stat)+/-0.12(syst)]x10(-9), with a radiative cutoff of M(2)(ee mu mu)/M(2)(K)>0.95. The first measurement using this mode of the parameter alpha from the D'Ambrosio-Isidori-Portolès (DIP) model of the K(L)gamma*gamma* vertex yields a result of -1.59+/-0.37, consistent with values obtained from other decay modes. Because of the limited statistics, no sensitivity is found to the DIP parameter beta. We use this decay mode to set limits on CP and lepton violation. 相似文献