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41.
Zeng -Gui Chen 《International Journal of Infrared and Millimeter Waves》1993,14(2):197-211
A cylindrical waveguide gyro-peniotron amplifier is analysed theoretically in this paper. By a ballistic method and directly using the energy conservation in the beam-wave system, a set of interaction equations for the cylindrical waveguide gyro-peniotron amplifier is derived. Computer simulation shows that under defined conditions an interaction efficiency of 47%, an output power of 240kW at a gain of 22. 5 dB and a 3 dB-instantaneous bandwidth of 1. 9% for a central frequency of 35GHz, TE03 mode gyro-peniotron amplifier could be achieved. The influence of the operation parameters on the amplifier performance is also presented. 相似文献
42.
John D. Watts Miroslav Urban Rodney J. Bartlett 《Theoretical chemistry accounts》1995,90(5-6):341-355
Summary This paper reports a series of coupled-cluster (CC) calculations through CCSDT on the theoretically challenging ground state of the BeO molecule. Along with CC methods, quadratic configuration interaction (QCI) approximations to CC theory have been used (QCISD and QCISD(T)), which show several dramatic failings. Equilibrium electrical properties (,
xx
, and
zz
) and basic spectroscopic properties (r
e, e,D
e, and infrared intensity (I)) have been computed. Basis set and electron correlation effects are analyzed in order to arrive at accurate values of the dipole moment and polarizability, which are not known experimentally. For the dipole moment, we obtain a value of 6.25 D, with an uncertainty of about 0.1 D. For
xx
and
zz
, we suggest respective values of 32 and 36 atomic units (a.u.) and error bars of about 1 and 2 a.u. With extended basis sets, the spectroscopic propertiesr
e, e, andD
e are reproduced to high accuracy, which is the first time this has been achieved for this species byab initio methods. At the highest calculation levels,I is predicted to be very small. AlthoughI has not been measured, some support for this prediction comes from a recent infrared study of BeO-rare gas complexes. The QCI methods are shown to be much more sensitive to basis set, and even with large basis sets yield values of
zz
andI which differ from CC results by an order of magnitude and three orders of magnitude, respectively. These differences doubtless arise from the importance of single excitations (T
1) for this molecule, as several terms involvingT
1 are neglected in the QCISD approximation compared with CCSD. We also report CC calculations with Brueckner orbitals, which yield results similar to those obtained with restricted Hartree-Fock orbitals. 相似文献
43.
严继民 《中国科学B辑(英文版)》1990,(7)
An ab initio calculation of the hydrogen bond complex (HF)_2 is given with the 6-311 G~(**) basis set, according to which the potential surface around the balance point of the distancès and the orientations between two HF molecules is obtained. The atomic charges in the system are calculated with the PD/LSF method (potential-derived/least-square-fitting method) and then an analysis of the hydrogen bond interaction between two HF molecules is given with the (exp-6-1) potential function, by means of which it is shown that the main interaction between them is not an electro-static but a charge transfer one. The potential curve between two HF molecules is like a Morse function. 相似文献
44.
45.
The interaction of dimethyltin dichloride (Me2SnCl2) with calf thymus DNA was studied at 27 °C, pH 7.6 using various techniques including isothermal titration calorimetry (ITC) and UV-Vis, fluorescence and IR spectrophotometries. The binding isotherm and enthalpy curve for Me2SnCl2-DNA interaction was a biphasic transition process. This was determined by the analysis of the binding data with the Hill equation. The first phase of the enthalpy curve (exothermic process) was consistent with the first set of binding site, the second phase (endothermic process, less exothermicity) was consistent with second set of binding site from the cited interactions. Our results showed that the first set of binding sites is occupied by one mole of ligand bound per near 1 base pair of DNA. The DNA-ethidium bromide (EB) complex, in the presence of Me2SnCl2, caused the quenching of the fluorescence emission. The Scatchard plots illustrated a non-intercalating manner for such quenching. The DNA-EB complex results indicated that the binding of Me2SnCl2 is with the phosphate groups of DNA at low ligand concentrations (<9 mM). This was confirmed with the IR spectrophotometric spectra. However, the binding at higher ligand concentrations (>9 mM) was with the base groups of DNA. Therefore, these results suggest that the Me2SnCl2 binding to DNA at low concentrations occurs through an outside interaction by an exothermic process. However, the partial unfolding of the DNA caused at higher concentrations of Me2SnCl2 is through an endothermic process involving interactions with the base groups. 相似文献
46.
Matrix element of the Gallilean invariant nonrelativistic reduction of the pseudoscalar-pseudovector interaction has been
calculated for free pion absorption by a single nucleon inside the nucleus of16O. The Hartree-Fock wavefunctions obtained with the unitary-model-operator approach starting with the hard-core nucleon-nucleon
interaction have been used for the π-capturing nucleon in the initial state. The initial pion distortion in the presence of
nuclear field of the absorbing nucleus prior to its absorption together with the Coulomb interaction with the finite nuclear
size has been taken into account. The distortion of the emitted proton in the field of the residual nucleus has also been
considered. The differential cross-sections have been obtained and calculated results are compared with the previous experimental
and theoretical work. 相似文献
47.
With a set of equations for the self-consistent large-signal interaction derived in this paper, the bandwidth characteristics of a non-reflection-type gyrotron-TWA using a tapered waveguide and tapered magnetic field system have been analysed. Numerical calculations indicate that under defined conditions an instantaneous bandwidth of nearly 10 % at a center frequency of 35 GHz with a length of the order of only8 cm of the rf interaction region could be achieved. 相似文献
48.
Analysis of cyanobacterial toxins by hydrophilic interaction liquid chromatography-mass spectrometry 总被引:5,自引:0,他引:5
The combination of hydrophilic interaction liquid chromatography with electrospray mass spectrometry (HILIC-MS) has been investigated as a tool for the analysis of assorted toxins produced by cyanobacteria. Toxins examined included saxitoxin and its various analogues (1-18), anatoxin-a (ATX-a, 19), cylindrospermopsin (CYN, 20), deoxycylindrospermopsin (doCYN, 21), and microcystins-LR (22) and -RR (23). The saxitoxins could be unequivocally detected in one isocratic analysis using a TSK gel Amide-80 column eluted with 65% B, where eluent A is water and B is a 95% acetonitrile/water solution, both containing 2.0 mM ammonium formate and 3.6 mM formic acid. The analysis of ATX-a, CYN and doCYN required 75% B isocratic. Simultaneous determination of 1-21 was also possible by using gradient elution. HILIC proved to be suitable for the analysis of microcystins, but peak shape was not symmetric and it was concluded that these compounds are best analysed using existing reversed-phase methods. The HILIC-MS method was applied to the analysis of field and cultured samples of Anabaena circinalis and Cylindrospermopsis raciborskii. In general, the method proved quite robust with similar results obtained in two different laboratories using different instrumentation. 相似文献
49.
In contrast to lower phosphorylation states (e.g. the tryptic monophosphopeptide FQpSEEQQQTEDELQDK from bovine beta-casein), the specific detection of multi-phosphorylated peptides (e.g. the tetraphosphopeptide RELEELNVPGEIVEpSLpSpSpSEESITR from tryptic digestion of bovine beta-casein) has often been problematic for liquid chromatographic mass spectrometric (LC/MS) analysis owing to their high affinity for adsorption to exposed surfaces. We observed an enhancement in the overall detection of phosphopeptides on addition of phosphoric acid (0.1-1.0%) to the sample solution; a 10-fold increase in sensitivity was determined for the detection of two tryptic phosphopeptides and also a significant improvement in the detection of the tetraphosphopeptide. Using capillary LC with ion trap tandem MS for detection and identification, the achievable detection limits were 50 fmol and 50 pmol for the monophosphopeptide and the tetraphosphopeptide, respectively. Phosphoric acid is believed to act as a blocking agent to available silanol groups on both the silica capillary surface and the C(18)-bonded stationary phase silica surface. 相似文献
50.
XRD and XPS are used to study the dispersion state of CuO on ceria surface. The dispersion capacity values of CuO measured
by the two methods are consistent, which are of 1.20 mmol CuO/100 m2 CeO2. In addition, the results reveal that highly dispersed Cu2+ ions are formed at low CuO loadings and that increasing the CuO content to a value higher than its dispersion capacity produces
crystalline CuO after the surface vacant sites on CeO2 are filled. The atomic composition of the outermost layer of the CuO/CeO2 samples has been probed by using static secondary ion mass spectroscopy (SSIMS), and the ratim of Cu/Ce are found to be 0.93
and 0.46 for the 1.22 and 0.61 mmol CuO/CeO2 samples respectively. Temperature-programmed reduction (TPR) profile with two reduction peaks at 156 and 165°C suggests that
the reduction of highly dispersed Cu2+ ions consists of two steps and is easier than that of CuO crystallites, in which the TPR profile has only one reduction peak
at about 249°C. The above experimental results are in good agreement with the prediction of the incorporation model.
Project supported by the National Natural Science Foundation of China. 相似文献