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Hiltrud Breitenfelder-Manske Friedrich Kohler 《Monatshefte für Chemie / Chemical Monthly》1985,116(11):1247-1261
The second virial coefficients of homonuclear three-centerLennard-Jones molecules are calculated with various parameters of the isosceles triangle connecting the three sites. A special effort is made to establish the reducedBoyle temperaturesT
B and the values of the second virial coefficients atT/T
B=0.3 for the sake of comparison with one- and two-centerLennard-Jones molecules. It is shown that it is possible to find parameter values of the interaction potential of one- and two-centerLennard-Jones molecules which give very similar values of second virial coefficients forT/T
B0.3, and the equivalence conditions are established. These conditions might not only give a basis for a microscopic scaling of state variables, but also some restrictions for the validity of the group contribution concept.Presented in part at the DFG-Colloquium at Paderborn, 19th April 1982, and at the 5th Conference on Mixtures of Nonelectrolytes and Intermolecular Interactions, April 18–22, 1983, at Halle (GDR). 相似文献
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Wilhelm Lorey 《Monatshefte für Mathematik》1939,48(1):190-197
Ohne Zusammenfassung 相似文献
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Guido Machek Hiltrud Riezler Fritz Prior 《Monatshefte für Chemie / Chemical Monthly》1953,84(2):335-341
Zusammenfassung Es wird der Verlauf der Sulfurierung des m-Kresols auf Grund der zwei dabei gebildeten Sulfone, dem - und -m-Oxytolylsulfon vonZehenter, geklärt. Die Konstitution des -m-Oxytolylsulfons wird als die des 2,2-Dioxy-4,4-dimethyldiphenylsulfons erkannt; für das -m-Oxytolylsulfon wird die Konstitution des 4,2-Dioxy-2,4-dimethyldiphenylsulfons wahrscheinlich gemacht. 相似文献
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Enantiomers and chiral relaxation reagents (CRR) afford diastereomeric complexes, which differ clearly in their 13C spin-lattice relaxation times. 相似文献
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Charge ordering in lithium vanadium phosphates: electrode materials for lithium-ion batteries 总被引:2,自引:0,他引:2
Yin SC Grondey H Strobel P Huang H Nazar LF 《Journal of the American Chemical Society》2003,125(2):326-327
The delithiation process in monoclinic Li3V2(PO4)3 has been determined by powder neutron diffraction coupled with 7Li solid-state NMR techniques. Charge ordering of vanadium (V3+/V4+) was observed in Li2V2(PO4)3 as shown by the gray and blue V-O octahedra, respectively, indicating that the electrons are pinned in this phase and hence transport is limited. 相似文献
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New results are given regarding the mechanism of the chemical process of copper alloyed silicon with methyl chloride (the `direct process'). As indicated by Photo-EMF measurements, carried out with doped silicon samples the reactivity of silicon significantly depends on the type of the doping with elements like phosphorus (n-type) tin, boron, indium (p-type). In-situ trapping experiments with 2,3-dimethylbutadiene are consistent with the creation of silylene intermediates SiMeCl and SiCl2 . Theselectivity of their competitive insertion steps can be controlled by the doping type and concentrations of the doping elements, especially the phosphorus/tin ratio criterion. n-Type doping favors the silylene insertion into the C-Cl bond due to the electronic silylene stabilization on the silicon surface. In case of p-type doping silylene insertion into Si-Cl bond is favored more intensively leading to the formation of disilanes. 相似文献
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We analyze the time-dependent spectrum of eigenvalues of the correlation matrix for multivariate EEG data at the transition to epileptic seizures. By a mechanism of level repulsion between states at both edges of the spectrum of the correlation matrix, relevant information about quantitative correlation changes is reflected in the largest and smallest eigenvalues and corresponding eigenvectors. By the application of measures from random matrix theory we provide evidence that statistically relevant information can be obtained both at the upper and the lower end of the spectrum. In addition, information about spatial characteristics of correlation changes can be extracted. 相似文献
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Precht JC Ganchev B Heinkele G Brauch H Schwab M Mürdter TE 《Analytical and bioanalytical chemistry》2012,403(1):301-308
Letrozole is an efficient endocrine treatment of postmenopausal breast cancer, however, not all patients benefit from this
treatment, and moreover, severe side-effects like arthralgia frequently lead to discontinuation. To better understand inter-individual
variability in drug response and side-effects, plasma analysis of steady-state concentrations of letrozole and its major metabolites
is crucial. We developed a rapid, sensitive, and specific method for the simultaneous quantification of letrozole and its
metabolites 4,4′-(hydroxymethylene)dibenzonitrile (carbinol) and bis(4-cyanophenyl)methyl hexopyranosiduronic acid (carbinol-gluc)
by UHPLC-ESI-MS/MS using in-house synthesized, stable isotope-labeled internal standards. Following solid-phase extraction
in BondElut C18 96-well plates, the analytes were separated on a ZORBAX Eclipse XDB-C18 column (1.8 μm, 4.6 × 50 mm) with
a gradient of acetonitrile in 0.1% acetic acid in water and detected on a triple quadrupole mass spectrometer with electrospray
ionization in the multiple reaction monitoring mode. Lower limits of quantification were 20, 0.2, and 2 nM for letrozole,
carbinol, and carbinol-gluc, respectively. The assay has been validated according to FDA guidance and applied to the analysis
of 20 plasma samples of postmenopausal breast cancer patients treated with 2.5 mg of letrozole per day. Mean plasma levels
(±SD) were 366 ± 173, 0.38 ± 0.09, and 34 ± 12 nM for letrozole, carbinol, and carbinol-gluc, respectively. Our rapid and
sensitive mass spectrometry based method enables future pharmacokinetic investigations of letrozole outcome. 相似文献