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21.
Angel L. Esteban Maria P. Galache Francisco Mora Ernesto Diez Jesus San Fabian 《Journal of computational chemistry》1989,10(7):887-895
An equation is formulated on the basis of theoretical INDO/FPT calculations which describes the angular dependence of the propanic long-range coupling constant 4JMeH in substituted HCCCH3 fragments. This equation is a truncated Fourier series in the torsion angle ?, HCCMe, which takes into account the dependence of the Fourier coefficients on the bond angle θ, CCMe. The substituent effects are assumed to be additive. Some parameters in the equation may be obtained from the 4JMeH couplings in propane and neopentane derivatives. The calculated effect upon 4JMeH of changes in the bond angle θ is significant and it seems to be in part the cause of some effects which have been attributed to conformational dependence. 相似文献
22.
Miguel Angel Javaloyes Paolo Piccione 《Differential Geometry and its Applications》2006,24(5):521-541
We study the singularities of the exponential map in semi Riemannian locally symmetric manifolds. Conjugate points along geodesics depend only on real negative eigenvalues of the curvature tensor, and their contribution to the Maslov index of the geodesic is computed explicitly. We prove that degeneracy of conjugate points, which is a phenomenon that can only occur in semi-Riemannian geometry, is caused in the locally symmetric case by the lack of diagonalizability of the curvature tensor. The case of Lie groups endowed with a bi-invariant metric is studied in some detail, and conditions are given for the lack of local injectivity of the exponential map around its singularities. 相似文献
23.
Singularity patterns in a chemotaxis model 总被引:3,自引:0,他引:3
24.
DAC-FECS Affairs
The Division of Analytical Chemistry 相似文献25.
26.
A direct and reagent free procedure has been developed to monitor the fermentation process of pine apple nectar using Attenuated Total Reflectance Fourier-transform mid-infrared spectrometry (FT-IR) and multivariate analysis. A classical 42 design for standards was employed for calibration using the information in the spectral range from 907 to 1531 cm−1 of the first order derivative spectra after mean centering of infrared data. The root mean square error of calibration (RMSEC) of 0.040, 0.021, 0.063 and 0.074% w/w were obtained for glucose, fructose, saccharose and ethanol, respectively, and a mean relative validation error of 2.9, 2.1, 2.6 and 3.6% was achieved for glucose, fructose, saccharose and ethanol. Results obtained by the proposed procedure for the alcohol content at different fermentation levels were statistically comparable with those obtained by a reference spectrometric method. So, FT-IR spectrometry provides a fast alternative to long and tedious classical procedures to ethanol determination and sugar enzymatic analysis. 相似文献
27.
Douglas R. Hurst Kristen L. French April J. Angel Angela R. Williams Mary E. Rampey Tina S. Guion Kam W. Chan Camille M. Kassis Shannon L. Studer Martinez Charles F. Beam 《Journal of heterocyclic chemistry》1998,35(6):1357-1359
Several acetoacetanilides were trilithiated in excess lithium diisopropylamide, and the resulting polylithiated intermediates were regioselectively condensed with lithiated methyl salicylates followed by acid cyclization to substituted 4-oxo-N-aryl-4H-1-benzopyran-2-acetamides (benzopyranone-2-acetamides). 相似文献
28.
A novel Cu(II)-Mn(II) hexanuclear complex of formula [[MnCuL](3)(tma)](ClO(4))(3).8H(2)O [H(2)L = macrocyclic Robson proligand; H(3)tma = trimesic acid] has been obtained by connecting three heterobinuclear [Cu(II)Mn(II)L](2+) cationic species through the trimesate anion. The complex exhibits a C(3) rotational symmetry, imposed by the geometry of the bridging ligand. The interaction within each Mn(II)-Cu(II) pair is antiferromagnetic (J = -16.7 cm(-1)). A weak ferromagnetic coupling among the three S = 2 resulting spins through the tricarboxylato bridge leads to a S = 6 ground spin state, for which the spin polarization mechanism is responsible. 相似文献
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