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61.
R. Wallace 《Chemical physics》1984,88(2):247-260
A general expression for the rovib kinetic energy operator in a system of orthogonal internal coordinates is derived for arbitrary amplitudes of motion. Plots of the molecular potential in such coordinates serve to determine coordinate subsets in which the potential approaches separability. A revision of previous theory for the three-body problem is presented. A rovib hamiltonian for non-branched four-atom molecules (such as C2H2) is derived. Certain features of application to polyatomic (five-atom) molecules are considered. 相似文献
62.
T. P. Wallace M. T. Volosin R. G. Delumyea A. D. Gingello 《Journal of Polymer Science.Polymer Physics》1972,10(2):193-200
Recent literature reports from three laboratories have treated the refraction correction for the Sofica and a noncommercial light scattering photometer. Our re-evaluation of the data contained in these reports, as well as our experiments, indicate that the usually cited n2 refraction correction has not been unquestionably established for these instruments. In some cases, imprecise experimental techniques have been used to support this particular form of the correction. In addition, we find the optical system of the Sofica instrument results in the detector seeing vertically past the horizontal edge of the illuminated volume in violation of a basic assumption in the deduction of the n2 correction. Our experiments, as well as our interpretation of recent literature data, support an exponent of less than 2.0 for the Sofica apparatus, which is consistent with an instrument whose detector views outside the illuminated volume. However, the experimental methods available to evaluate the exponent lack the desired precision. 相似文献
63.
64.
65.
Wallace KJ Gray M Zhong Z Lynch VM Anslyn EV 《Dalton transactions (Cambridge, England : 2003)》2005,(14):2436-2441
An artificial siderophore in the form of a squaraine dye (1) has been synthesized. The bidentate ligand chelates to Fe(III) between the deprotonated hydroxyl group on the ortho position of the ring adjacent to the carbonyl group of the cyclobutadiene ring. The optical response is due to a subtle geometry change of 1 on chelation to Fe(III). This artificial siderophore forms a 2 ratio 1 ligand ratio metal complex, as indicated by a sigmoidal isotherm (K(a)= 10(7) M(-1)). The optical response on the addition of Fe(III) is observed at low concentrations in comparison to other metal salts. The X-ray crystal structure and calculated structures of dye (1) are also included, and will be discussed. 相似文献
66.
Dewald EL Suter LJ Landen OL Holder JP Schein J Lee FD Campbell KM Weber FA Pellinen DG Schneider MB Celeste JR McDonald JW Foster JM Niemann C Mackinnon AJ Glenzer SH Young BK Haynam CA Shaw MJ Turner RE Froula D Kauffman RL Thomas BR Atherton LJ Bonanno RE Dixit SN Eder DC Holtmeier G Kalantar DH Koniges AE Macgowan BJ Manes KR Munro DH Murray JR Parham TG Piston K Van Wonterghem BM Wallace RJ Wegner PJ Whitman PK Hammel BA Moses EI 《Physical review letters》2005,95(21):215004
The first hohlraum experiments on the National Ignition Facility (NIF) using the initial four laser beams tested radiation temperature limits imposed by plasma filling. For a variety of hohlraum sizes and pulse lengths, the measured x-ray flux shows signatures of filling that coincide with hard x-ray emission from plasma streaming out of the hohlraum. These observations agree with hydrodynamic simulations and with an analytical model that includes hydrodynamic and coronal radiative losses. The modeling predicts radiation temperature limits with full NIF (1.8 MJ), greater, and of longer duration than required for ignition hohlraums. 相似文献
67.
68.
Dynamic surface tension measurements with submillisecond resolution using a capillary-jet instability technique 总被引:2,自引:0,他引:2
Alakoç U Megaridis CM McNallan M Wallace DB 《Journal of colloid and interface science》2004,276(2):379-391
An oscillating capillary jet method is implemented to measure surface tension of aqueous nonionic surfactant solutions as a function of surface age from the jet orifice. The experimental technique captures the evolution of jet swells and necks continuously along the jet propagation axis and is used in conjunction with an existing linear, axisymmetric, constant-property model to determine surface tension of liquids. The method is first validated using deionized water and isopropyl alcohol (constant surface tension test fluids) and a procedure is described to identify the optimum wavelength from the breakup point, which produces the smallest error in surface tension measurements. Dynamic surface tension data of concentrated aqueous Tergitol NP-8 surfactant solutions is then presented. The measurements are performed over a spatial length of approximately 1.5 wavelengths, a span corresponding to 0.6-4.2 ms time window from the jet orifice. Submillisecond surface age measurements are made possible by decreasing the jet diameter. Increased surfactant concentrations make the liquid jet more stable and allow measurements at higher surface ages. The correlation of Hua and Rosen fits well the dynamic surface tension data, which includes submillisecond surface ages. Finally, the time required for surface tension to reach equilibrium levels is estimated using a simple adsorption kinetics theory of surfactant molecules on the liquid/air interface. 相似文献
69.
The NMR spectra of a series of 1,3,5-triazines (1) in which one or more of the substituent groups are fluorinated are described, and the results are discussed in terms of bonding and geometry of the molecules. Remote effects of unsymmetrical substitution are observed in the fluorine-19 and carbon-13 spectra, in some molecules indicating restricted rotation about the bond joining an amino group to a ring carbon. 相似文献
70.
Beer PD Berry NG Cowley AR Hayes EJ Oates EC Wong WW 《Chemical communications (Cambridge, England)》2003,(19):2408-2409
A novel family of redox-active dinuclear transition metal based cryptands self-assembled from dithiocarbamate ligands has been synthesised; depending upon the nature of the spacer groups these new cryptand systems have been shown to electrochemically recognise the binding of cations or anions. 相似文献