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51.
Ali G. Ozkabak Surya N. Thakur Lionel Goodman 《International journal of quantum chemistry》1991,39(3):411-422
C6H6 Raman scattering activities calculated from harmonic model ab initio Hartree–Fock 6–311 ++ G(d, p) polarizability derivatives (and harmonic force fields calculated at the same level) accurately simulate experiment (to within 1% for the a1g modes). Accurate predictions are also made for the e2g modes (to within 5% for ν7 and ν9, and more poorly for ν6 and ν8 [in Fermi resonance with ν6 + ν1]) and for the e1g out-of-plane mode, ν10. Only the ν6 in-plane CCC bending mode scattering activity is found to be anomalous. Systematic variation of the basis set indicates that the benzene scattering activities and depolarization ratios are strongly dependent on inclusion of both carbon and hydrogen atom diffuse functions in the basis set. Predictions are also made for 12C6D6 and for unmeasured intensities in 13C6H6. Measurements of a1g mode scattering activities in the latter molecule are predicted to be useful in testing the harmonic Hartree–Fock Raman intensity model. 相似文献
52.
The progress of high temperature processes is generally described in terms of variation of the degree of conversion () with time (t). The present paper outlines a procedure for making use of-t plots for comparative assessment of productivity and energy requirements for a test system with respect to a reference, on the basis of some simplifying assumptions. It is assumed that the throughput is inversely proportional to reaction time as in the case of batch reactors and plug flow reactors. It is also assumed that the energy requirement is a simple function of process temperature. The principles outlined is illustrated with reference to some laboratory data for reduction of iron oxide by coal.The authors wish to thank Prof. P. R. Rao, Director National Metallurgical Laboratory, Jamshedpur, India, for providing facilities for experimental work and for according permission to publish this work. 相似文献
53.
54.
S. B. Manohar S. K. Aggarwal S. M. Deshmukh A. R. Parab P. P. Burte H. C. Jain Satya Prakash 《Journal of Radioanalytical and Nuclear Chemistry》1981,63(1):145-153
A gamma-spectrometric method using an intrinsic high resolution germanium detector has been developed for the determination
of isotope ratios of plutonium from samples in solution form. The method is based on the assay of low energy gamma-rays of238Pu,239Pu,240Pu and241Pu and does not require the use of branching intensities or the knowledge of detection efficiencies for different gamma rays.
Since low energy gamma-rays are used, the effect of241Am has also been studied. It is found that results are not affected up to 0.5 wt% of241Am in plutonium samples. An accuracy of 3% is achievable in the determination of240Pu/239Pu and241Pu/239Pu atom ratios as demonstrated by carrying out measurements on isotopic standards of plutonium. 相似文献
55.
Summary The effect of composition and flow rate of the mobile phase on the HPLC separation of hydrogenated buckminsterfullerene (C60Hn n=2–38) was investigated on BuckySep column. Toluene was used as the basic solvent and hexane, heptane, cyclohexane, THF,
acetonitrile, acetone, ethanol and 2-propanol as co-solvents. The fraction of co-solvents was varied 10–80%, and the flow
rate 1–0.1 mL min−1. Toluene-acetonitrile 65∶35 and toluene-acetone 50∶50 provided the best separation. Under the best conditions complete separation
of C60H2 and almost complete separation of the four most abundant isomers of C60H4 were achieved. Separation of derivatives with higher hydrogen content was very poor.
Presented at: Balaton Symposium on High-Performance Separation Methods, Siófok, Hungary, September 3–5, 1997 相似文献
56.
The effects of gamma irradiation on the microbiological, physical and sensory qualities of diced tomatoes 总被引:1,自引:0,他引:1
Anuradha Prakash Jacqueline Manley Suresh DeCosta Fred Caporaso Denise Foley 《Radiation Physics and Chemistry》2002,63(3-6):387-390
Diced Roma tomatoes were treated with gamma irradiation and evaluated for changes in microbial, physical, chemical and sensory properties. Dosages for Trial 1 were 0.0, 0.39, 0.56 and 1.82 kGy and in Trial 2, 0.0, 0.50, 1.24 and 3.70 kGy. Irradiation at 3.70 kGy resulted in no aerobic populations through day 12 and significantly fewer colonies through day 15 whereas yeast and mold populations experienced a 2 log reduction through day 12. Color, titratable acidity, and °Brix were not significantly affected by irradiation. Tissue firmness decreased with increasing dose but not with storage time. Treatment with 3.7 kGy decreased firmness by 50% and 20% with 0.5 kGy, however, the reduced firmness induced by 0.50 kGy was undetected by a 9 member trained sensory panel. A significant (p0.05) inverse correlation between changes in texture and water-soluble pectin (WSP) was determined while total pectin remained relatively constant and oxalate soluble pectin content decreased slightly with irradiation dose. The significant inverse correlation between the loss of firmness and WSP indicates that the changes in WSP play an important role in the tissue softening of tomatoes, This study indicates that irradiation at 0.5 kGy can reduce microbial counts substantially to improve microbial shelf life without adverse effects on sensory qualities. 相似文献
57.
M. Prakash Y. R. Waghmare I. Mehrotra 《Zeitschrift für Physik A Hadrons and Nuclei》1976,278(2):155-164
Low-lying spectra of6Li,18F,18O,42Sc,42Ca,58Ni and92Zr are studied with Sussex matrix elements (SME) and their central, spin-orbit and tensor components. It is observed that major contribution to level energies comes from the central part, while the tensor part provides the finer details of spectra, particularly forT=0 levels. The spin-orbit part does not make any appreciable contribution to level energies. A phenomenological renormalization of the SME is carried out to improve the agreement with the experimental results. It turns out that some of the low-lyingT=0 levels can be satisfactorily described if the SME in the3S1 relative state are made (1+α) times their bare interaction value, whereα is a constant to be determined from a comparison with experimental level energies. Similarly, forT=1 levels, better agreement with the experimental results is obtained if aδ-function-plus-quadrupole interaction is added to the SME. 相似文献
58.
P. Ravi Girish M. Gore Surya P. Tewari Arun K. Sikder 《Journal of heterocyclic chemistry》2013,50(6):1322-1327
We report herein a facile, rapid, and environmentally friendly synthesis of nitropyrazoles in good yields using silica‐bismuth nitrate and silica‐sulfuric acid‐bismuth nitrate at room temperature for the first time. The relatively non‐toxic nature, ease of handling, easy availability, and low cost make the present procedure attractive for the nitration of a wide variety of diazoles in the drug and pharmaceutical industries. 相似文献
59.
Jinesh M. Kuthanapillil A. Nijamudheen Nayana Joseph Praveen Prakash E. Suresh Ayan Datta K.V. Radhakrishnan 《Tetrahedron》2013
A detailed investigation on the effect of solvent polarity, temperature, and microwave irradiation on periselectivity in cycloaddition reactions of pentafulvenes with 3-oxidopyrylium betaine is described. The base catalyzed generation of 3-oxidopyrylium betaine in CHCl3 resulted in the exclusive formation of [6+3] adducts. With increase in solvent polarity and temperature, mixtures of [6+3] and [3+2] adducts were formed, where as under microwave irradiation, [3+2] adducts were formed exclusively. The experimental results have been rationalized on the basis of theoretical calculations. 相似文献
60.