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111.
Otto P. Strausz Cornelia Kozmutza Ede Kapuy Michael A. Robb Giannoula Theodorakopoulos Imre G. Csizmadia 《Theoretical chemistry accounts》1978,48(3):215-221
Vertical proton affinities were calculated with closed and open shell direct SCF-MO methods for the ground, excited triplet and ionized doublet states of CH2O and CH2OH+.The computed gas phase basicity of CH2O follows the order: CH2O(1
A
1) > CH2O*(3
A
1 or 3
A
2) > CH2O+(2
B
2 or 2
B
1). 相似文献
112.
The optical constants in the photon energy range between 4 and 10.5 eV for E ?b on (001) and E ?L and E ⊥ L on the (010) plane are discussed. In particular the influence of macroscopic fields on the optical properties of anisotropic crystals is considered. For E ? a on the (001) plane reflection spectra have been measured at various angles of incidence. These data and results obtained recently by Hymowitz and Clark for several artificially prepared crystal faces are discussed on the basis of the frequency dependend dielectric functions. New information on the directional dispersion of exciton bands is thus obtained. 相似文献
113.
Travaille AM Kaptijn L Verwer P Hulsken B Elemans JA Nolte RJ van Kempen H 《Journal of the American Chemical Society》2003,125(38):11571-11577
The lateral alignment of [012] habit-modified calcite crystals with respect to a carboxylic acid terminated self-assembled monolayer (SAM) of thiols has been determined. The crystals were grown from a Kitano solution (pH 5.6-6.0), and the samples were investigated with scanning electron microscopy, X-ray diffraction, and polarization microscopy. For the first time, a lattice match in one direction, which is the nearest neighbor direction of the SAM and the calcite <100> direction, has been experimentally shown. The experimental results are in good agreement with the theoretical models proposed in previous work, and it is expected that this method can be applied to similar systems where inorganic crystals nucleate with a preferred orientation to a SAM. 相似文献
114.
A new, one-step procedure for the generation of azomethine ylides, 4 and 20, via chloroiminium salts, 3 and 19, is reported. The generation of the azomethine ylides was confirmed by their trapping with dimethyl acetylenedicarboxylate (DMAD) which, upon spontaneous 1,4-dehydrochlorination, gave the corresponding pyrroles 17 and 21. 相似文献
115.
Emission and absorption polarization spectra as well as emission lifetimes between room temperature and 5 °K have been measured of [Cr urea6]X3 single crystals, where X stands for ClO
4
–
, J–, NO
3
–
, Br–, Cl–, F–, and X3 for JSO
4
3–
. The strong temperature dependence of the fluorescence/phosphorescence-ratios, and of the emission lifetimes is discussed. The differences between the spectra as well as the emission lifetimes of the various salts can be attributed to an anion dependent trigonal perturbation.
Die Autoren danken dem Verband der Chemischen Industrie für finanzielle Unterstützung dieser Arbeit. 相似文献
116.
Bryskhe K Schillén K Olsson U Yaghmur A Glatter O 《Langmuir : the ACS journal of surfaces and colloids》2005,21(19):8597-8600
Particles with an internal structure have been found in dilute water solutions of a triblock copolymer of poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO), which has short hydrophilic PEO endblocks compared to the central hydrophobic PPO block (EO5PO68EO5, L121). The properties of the block copolymer particles (i.e., their structure, size, and time stability) have been investigated using cryogenic transmission electron microscopy (cryo-TEM) in combination with dynamic light scattering (DLS) and turbidity measurements. The particles were formed in dilute solutions by quenching the temperature to temperatures where the reversed hexagonal phase is in equilibrium with a solution of unaggregated L121 copolymers (L1). From the DLS measurements, a mean hydrodynamic radius of 158 nm was extracted. The time-scan turbidity measurements were found to be unchanged for about 46 h. At higher copolymer concentrations, a reversed hexagonal phase (H2) exists in the L121/water system. SAXS was used to investigate the internal structure of the dispersed L121-based particles containing 15 wt % L121. It was found that the internal structure transforms from H2 to an inverse micellar system (L2) as the temperature increases from 37 to 70 degrees C. 相似文献
117.
The conversion of methylenedimethyloxonium ylide to ethyl methyl ether was investigated by the semiempirical MNDO method. An activation energy of 51 kJ/mol suggests that this rearrangement is a possible elementary reaction in the well-known MTG process.
. 51 /, , .相似文献
118.
Neutrino induced transition rates from205Tl to excited states in205Pb were calculated for neutrino fluxes from the different hydrogen burning reactions in the sun. Suppression factors for electron neutrinos due to flavor oscillations in the sun were obtained. The influence of neutrino oscillations on the neutrino capture rate of205Tl in dependence of the mixing angle and neutrino mass difference is discussed.Dedicated to Prof. Dr. P. Kienle on the occasion of his 60th birthday 相似文献
119.
Otto Röschel 《Journal of Geometry》1992,44(1-2):160-170
We study a map of osculating elements of an affine Cayley- Klein (CK-) plane into the Lie algebraA
4(2) of the aequiform transformationsA
4(2) of the given plane. If we use the real projective spaceP
3() overA
4(2) each osculating element defines a straight line inP
3(). In the first part of this paper this map is studied in detail. In the second part we study second order properties of one- parameter motions and their corresponding properties in the Lie algebraA
4(2). This is done by considering the analogen to the formula of EULERSAVARY in the image spaceP
3() overA
4(2). 相似文献
120.
Martin Otto 《Archive for Mathematical Logic》1992,31(5):355-371
Summary We consider a class of Lindström extensions of first-order logic which are susceptible to a natural Skolemization procedure. In these logics Ehrenfeucht Mostowski (EM) functors for theories with arbitrarily large models can be obtained under suitable restrictions. Characteristic dependencies between algebraic properties of the quantifiers and the maximal domains of EM functors are investigated.Results are applied to Magidor Malitz logic,L(Q
<), showing e.g. its Hanf number to be equal to (1) in the countably compact case. Using results of Baumgartner, the maximal number of isomorphism types of linearly ordered models of regular cardinality is shown to be achieved for theories that admit an EM functor on a typically restricted domain. 相似文献