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排序方式: 共有125条查询结果,搜索用时 31 毫秒
1.
Charles Bock Mendel Trachtman Ann Schmiedekamp Philip George Tin S. Chin 《Journal of computational chemistry》1983,4(3):379-389
An ab initio study of O?N? N?S with full geometry optimization has been carried out to corroborate the presence of an interaction between the terminal atoms in this type of structure, which, in O?N? N?O, apparently stabilizes the cis conformer. Using the unscaled 4–31G basis set with a full set of d functions on the sulfur, there is a potential minimun at the trans but not the cis geometry. A gauche conformer with a torsional angle of 77.2° is the most stable. With N2O2 this basis set gives potential minima at both the cis and trans geometries, but the trans conformer is slightly more stable, contrary to experiment and the results of (7,3) basis-set calculations reported in the literature in which Gaussian lobe functions were employed. Using a (9,5) basis set there is no longer a potential minimum at the cis geometry, and a gauche structure is more stable than the cis conformer as in the case of N2OS with the less-extended basis set. Force constants (harmonic and anharmonic), compliance constants, relaxed force constants, and interaction-displacement coordinates for both molecules are compared for key structural elements. 相似文献
2.
3.
Weisshoff H Preiss A Nehls I Win T Mügge C 《Analytical and bioanalytical chemistry》2002,373(8):810-819
A hyphenated HPLC-(1)H NMR method for the identification and quantification of PAHs in soil samples has been developed and applied to a PAH reference sample provided by the Federal Institute for Materials Research and Testing (BAM, Berlin, Germany). The results were compared with those obtained by HPLC-DAD, HPLC-F, and GC-MS analyses of the same sample. 相似文献
4.
A. Desii C. Duce L. Ghezzi S. Monti R. Solaro M. R. Tiné 《Journal of Thermal Analysis and Calorimetry》2009,97(3):791-796
The self-aggregation of two short ionic tetrapeptides (RWDW and RVDV, where R = arginine, V = valine, W = tryptophan, D = aspartic acid) was studied by different experimental techniques such as, atomic force microscopy (AFM), light scattering (LS), isothermal titration calorimetry (ITC) and viscosimetry. AFM was used to investigate the morphology of the aggregates; the AFM images showed the presence of fibrillar aggregates whose number and length increased with increasing oligopeptides concentration. On the other hand, the collected experimental calorimetric and physical chemical results consistently indicated a critical aggregation concentration (cac) around 0.5 and 2.0 mM for RWDW and RVDV respectively. 相似文献
5.
Tin Thanh Le 《Tetrahedron》2010,66(46):8893-8898
Starting from isosorbide and isomannide, two by-products from the starch industry, a family of chiral functionalized β-aminoalcohols presenting a THF ring has been synthesized as potential ligands for hydrogen transfer reduction of prochiral ketones. Under optimal conditions, more than 70% ee with an excellent conversion were obtained for the HTR of the acetophenone. 相似文献
6.
Rosemarie Philipp Olaf Hanebeck Sebastian Hein Wolfram Bremser Tin Win Irene Nehls 《Accreditation and quality assurance》2010,15(3):141-146
The Federal Institute for Materials Research and Testing (BAM), Germany, has issued a series of large volume ethanol in water
certified reference materials (CRMs), primarily developed for the calibration of evidential breath alcohol analyzers in Germany.
The certified parameter is the ethanol mass concentration at 20 °C. When used in a wet bath simulator, the solutions deliver
gas samples that meet the requirements set by the Organization of Legal Metrology for calibration of breathalyzers. The materials
were prepared gravimetrically by spiking of ethanol into water in single 5 L units. A complete uncertainty budget for the
preparation process has been established. The purity of the commercial ethanol stock solution was identified to be the main
source of uncertainty. For stability and homogeneity measurements and for the verification of the gravimetric mass concentration
of the CRMs, a robust high-precision gas chromatography, with flame-ionization detection method for ethanol determination
in aqueous samples was developed and validated. The good performance of this method has been demonstrated in several international
comparisons organized by the Consultative Committee for Amount of Substance—Metrology in Chemistry at the International Bureau
of Weights and Measures. 相似文献
7.
Yew Hoong Leong Jaguthsing Dindyal Tin Lam Toh Khiok Seng Quek Eng Guan Tay Sieu Tee Lou 《ZDM》2011,43(6-7):819-831
Problem solving is at the heart of the Singapore Mathematics curriculum. However, it remains a challenge for teachers to realise this curricular goal in practice. Here, we review the efforts of Singapore mathematics teacher educators in incorporating problem-solving (teaching) competency in teacher education and PD programmes. We discuss conceptual and practical issues, actions taken and changes made in building teachers?? capacity to enact a problem-solving curriculum in a school-based design experiment project. In the project, teachers learnt problem solving, observed and then carried out lessons, using the ??Mathematics Practical????akin to the science practical??as key to instruction and assessment. 相似文献
8.
V. M. Denisov S. M. Tin’kova L. T. Denisova L. A. Irtyugo 《Physics of the Solid State》2011,53(10):2025-2027
This paper reports on a study of the thermal conductivity of the PbGeO3 and PbGe3O7 glasses. 相似文献
9.
Maria Rosaria Tiné 《Coordination chemistry reviews》2012,256(1-2):316-327
This article provides a short survey on the thermodynamic and kinetic behaviour of cobalt complexes, which are able to bind molecular oxygen in aqueous solutions. The focus is on cobalt complexes with simple polyamines and with polynucleating ligands that share the same basic structure, in terms of them being elements of a sequence with increasing complexity. Ditopic polyazapolyoxalkanes and dicompartimental ligands containing a phenolic moiety are also considered. The aim is to elucidate the relation between the structure of the ligands and the behaviour of their cobalt complexes as donors and acceptors of dioxygen. 相似文献
10.
Yew Hoong Leong Eng Guan Tay Tin Lam Toh Khiok Seng Quek Jaguthsing Dindyal 《The Journal of Mathematical Behavior》2011,30(3):181-193
This study is based on the stance that Pólya's “Look Back,” though understudied, remains relevant to Mathematics curricula that place emphasis on problem solving. Although the Singapore Mathematics curriculum adopts the goal of teaching Look Back, research about how it is carried out in actual classroom practice is rare. In our project, we focus on a redesign of a teacher development programme that is targeted to help teachers realize Pólya's original vision of Look Back in the classroom. We report the cases of two teachers who have participated in the teacher development programme: their thinking about Look Back (through interview records) and their interpretation of Look Back in their classroom practice (through video records). By bringing these two spheres of data together, we discuss their degree of ‘buy-in’ to Look Back in the overall problem solving enterprise. 相似文献