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841.
842.
Graham A. Bowmaker David J. Calvert Peter B. D. de la Mare Alan J. Jones 《Magnetic resonance in chemistry : MRC》1982,20(3):191-193
Vicinal coupling constants in the 1H and 13C NMR spectra of r-1,t-2,c-3,t-4-tetrachlorotetralin change with temperature and solvent in a manner better explained by conformational equilibration than by intramolecular or solvent-determined distortions. 相似文献
843.
Positron-sensitive detection was used to measure the spatial decay in intensity of twelve transitions in Fe XIII to Fe XVI. A two-meter grazing incidence spectrometer was equipped with a 25 mm microchannel plate coupled to a resistive anode encoder and was positioned to simultaneously record all EUV radiation in the wavelength range from 24.5 to 31 nm. Data for foil-excited Fe ions at 35 MeV was accumulated at each of 37 foil positions until a fixed amount of beam charge had been collected in a Faraday cup. The considerable advantages of this improved beam-foil time-of-flight technique are discussed. 相似文献
844.
845.
Kim YS Jones TA Chertoff ME Nunnally WC 《The Journal of the Acoustical Society of America》2006,120(6):3811-3821
A piezoelectric (PZE) vibrator was used to mechanically drive the columella footplate and stimulate the cochlea of chicken embryos and hatchlings. Our objectives were to characterize the motion of the PZE driver and determine the relationship between columella footplate motion (displacement/ velocity) and the cochlear microphonic recorded from the recessus scala tympani (CMrst). At each frequency, displacement of the PZE driver probe tip was linearly related to the applied voltage over a wide range of attenuation levels (-60 to -20 dBre:50 Vp-p). The mean displacement across frequencies (100-4000 Hz) was 0.221+/-0.042 micromp-p for a constant applied voltage level of -20 dBre:50 Vp-p. Displacement was within 1.5 dB of the mean for this stimulus level at all frequencies except for 4000 Hz, where it was approximately 3 dB higher (p < 0.01). CMrst amplitudes in hatchlings were larger than amplitudes in embryos (p=0.003). For a given frequency, CM was linearly related to footplate displacement and velocity at both ages. The transform ratio of CMrst/A (CM amplitude/displacement) increased at approximately 6 dB/octave at frequencies between 100 and 1000 Hz in hatchlings suggesting that cochlear impedance (Zc) was resistive at these frequencies. In a large fraction of the embryos, Zc exhibited reactive behavior. 相似文献
846.
We perform first-principles calculations of the surface and bulk wave functions of the Cu(111) surface and their hybridization energies to a Co adatom, including the potential scattering from the Co. By analyzing the calculated hybridization energies, we find the bulk states dominate the contribution to the Kondo temperature, in agreement with recent experiments. Furthermore, we also calculate the tunneling conductance of a scanning tunneling microscope and compare our results with recent experiments of Co impurities in the Cu(111) surface. Good quantitative agreement is found at short parallel impurity-tip distances (<6 A). Our results indicate the need for a new formulation of the problem at larger distances. 相似文献
847.
The first complexes and cyclodimerisations of methylphosphaalkyne, P[triple bond]CMe, are reported to arise from its reactions with a range of platinum(0) complexes and [W(CO)5(THF)]. A number of differences between the chemistry of this phosphaalkyne and that of its bulkier analogues have been highlighted and explained on steric grounds. 相似文献
848.
José Calhorda M Costa PJ Crespo O Gimeno MC Jones PG Laguna A Naranjo M Quintal S Shi YJ Villacampa MD 《Dalton transactions (Cambridge, England : 2003)》2006,(34):4104-4113
The complexation properties of the ligand bis(3,5-dimethylpyrazol-1-yl)methane (L) towards group 11 metals have been studied. The reaction in a 1 : 1 molar ratio with [Cu(NCMe)4]PF6 or Ag(OTf) complexes gives the mononuclear [CuL(NCMe)]PF6 (1), with crystallographic mirror symmetry, or dinuclear [Ag2(mu-L)2](OTf)2 (2) (OTf = trifluoromethanesulfonate) in which the ligand bridges both silver centres, an unprecedented mode of coordination for this type of ligands. Compound 2 crystallizes with two water molecules and forms a supramolecular structure through classical hydrogen bonding. The reaction in a 2 : 1 ratio affords in both cases the four-coordinated derivatives [ML2]X (M = Cu, X = PF6 (3); Ag, X = OTf 4). The treatment of [Ag(OTf)(PPh3)] with the ligand L gives [AgL(PPh3)]OTf (5). The gold(I) derivative [Au2(C6F5)2(mu-L)] (6) has also been obtained by reaction of L with two equivalents of [Au(C6F5)(tht)]. These complexes present a luminescent behaviour at low temperature; the emissions being mainly intraligand but enhanced after coordination of the metal. Compounds 1-4 have been characterized by X-ray crystallography. DFT studies showed that, in the silver complex 2, coordination of H2O to Ag in the binuclear complex is favoured by formation of a hydrogen-bonding network, involving the triflato anion, and releasing enough energy to allow distortion of the Ag2 framework. 相似文献
849.
Adenosine 5'-triphosphate (ATP) is an essential energy carrier in mammalian and other cells, and its hydrolysis to the diphosphate (ADP) in the presence of metal cations (e.g., Mg(2+) or Ca(2+)) is one of the most prevalent biochemical reactions. We describe here density functional (DF) calculations on closely related systems and compare the results with other calculations and available experimental data: Na(H2O)n +, Mg(H2O)n 2+, and Ca(H2O)n 2+ clusters (n = 1, 4-7), the crystalline pyrophosphates Mg(2)P(2)O(7).6H2O and alpha-CaNa(2)P(2)O(7).4H2O, and crystalline Na(2)ATP.3H2O. The last of these comprises asymmetric units of ATP dimers (monomers A and B) in a double-protonated state H(2)(ATP)(2-). The calculated structures agree well with available measurements and provide additional information, including the location of the H atoms. Analysis of the dipole moments of individual ATP monomers and their dimers shows that the crystal comprises blocks of opposing dipoles. Replacing one Na+ ion with Mg2+ or Ca2+ results in a significant elongation of the terminal bridging P-O bond. The calculations provide benchmarks for the use of DF methods in ATP systems and are used in the companion paper to study the hydrolysis of ATP at the active site of the protein actin. 相似文献
850.
Rosner JL Adam NE Alexander JP Berkelman K Cassel DG Duboscq JE Ecklund KM Ehrlich R Fields L Galik RS Gibbons L Gray R Gray SW Hartill DL Heltsley BK Hertz D Jones CD Kandaswamy J Kreinick DL Kuznetsov VE Mahlke-Krüger H Meyer TO Onyisi PU Patterson JR Peterson D Phillips EA Pivarski J Riley D Ryd A Sadoff AJ Schwarthoff H Shi X Stroiney S Sun WM Wilksen T Weinberger M Athar SB Avery P Breva-Newell L Patel R Potlia V Stoeck H Yelton J Rubin P Cawlfield C Eisenstein BI Karliner I Kim D Lowrey N 《Physical review letters》2006,96(9):092003
We determine the dielectron widths of the Gamma(1S), Gamma(2S), and Gamma(3S) resonances with better than 2% precision by integrating the cross section of e+e- -->Gamma over the e+e- center-of-mass energy. Using e+e- energy scans of the Gamma resonances at the Cornell Electron Storage Ring and measuring Gamma production with the CLEO detector, we find dielectron widths of 1.252+/-0.004(sigma(stat))+/-0.019(sigma(syst)) keV, 0.581+/-0.004+/-0.009 keV, and 0.413+/-0.004+/-0.006 keV for the Gamma(1S), Gamma(2S), and Gamma(3S), respectively. 相似文献