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131.
An universal function for non-bonded interactions, which takes into account the relative orientation of the bonds is considered in calculating the conformational energies of cycloalkenes and cycloalkadienes. A comparison is made with previous results obtained by using usual 6-exp functions for non-bonded interactions. 相似文献
132.
133.
The use of wet and dry ashing procedures to decompose marine biological tissues and to degrade organoarsenic compounds to inorganic arsenic for analysis by zinc-column arsine generation and atomic-absorption spectrophotometry was investigated. Wet ashing with nitric, sulphuric and perchloric acids (10:2:3 v/v) released the largest percentage of arsenic from fish tissue and quantitatively degraded methylated and other organoarsenic compounds to inorganic arsenic. The arsenic concentrations found when standard reference materials were ashed with this acid mixture were in agreement with the certified values. 相似文献
134.
135.
A.I. Baranov L. Kloo R.A. Lunin B.A. Popovkin 《Journal of solid state chemistry》2004,177(10):3616-3625
A systematic search for mixed low-valence, nickel-tin chalcogenides performed by establishing phase relations in the parts of Ni-Sn-Se and Ni-Sn-Te ternary systems resulted in the discovery of two new compounds, Ni5.62SnSe2 and Ni5.78SnTe2. Single crystals of both compounds were prepared by chemical transport with iodine and crystal structures were determined by single crystal X-ray investigation. The ED patterns for Ni5.78SnTe2 showed the presence of satellite reflections, which indicate a modulated structure with q≈0.4a*. Average crystal structures of both compounds were determined to be of tetragonal symmetry (Sp.gr. I4/mmm, Z=2) with a=3.6890(8) Å, c=18.648(3) Å, Rw=0.0716 and a=3.7680(5) Å, c=19.419(4) Å, Rw=0.0832, correspondingly, and are isostructural to known Ni5.72SbSe2 and Ni5.66SbTe2. Measurements were carried out for both compounds with respect to thermal, electrical and magnetic properties. Ab initio band structure calculations were also performed to take a first glance into the electronic structure of such type compounds. The anisotropy of their band structure was found. Physical property measurements showed both compounds to be the anisotropic metallic conductors and paramagnetics. Calculated difference charge density maps revealed pairwise covalent and multicenter metallic nature of the d-metal—chalcogen and d-metal—p-metal interactions, respectively. 相似文献
136.
137.
Ming Guo Jue Wang Man Xiong Ronghui Wu Xuejuan Yang Jianzhong Zhou Minghui Li Jiajun Li 《大学化学》1986,35(12):237-246
In order to improve university laboratory teaching and practical education under the background of information technology, as well as overcome the difficulty for practical training, develop a virtual simulation experiment platform for rapid pyrolysis of natal materials and high-performance liquid chromatographic (HPLC) detection of its components. The experiment integrates the actual operation process of the plant to produce cleaved products by rapid pyrolysis of biomass with HPLC detection. The virtual experiment is divided into biomass sample pretreatment, rapid biomass pyrolysis, bio-oil extraction, and HPLC determination of complex components, making the biomass cleavage workshop "real" through simulation. This virtual simulation experiment fully integrates the utilization of biomass resources and basic chemistry courses (such as organic chemistry, instrumental analysis, chemical engineering principles, etc.), which are widely involved in agricultural and forestry majors with advantageous characteristics value. 相似文献
138.
Michael Stavola J.M. Friedman R.A. Stepnoski Mark G. Sceats 《Chemical physics letters》1981,80(1):192-194
Cooperative vibronic spectra involving Gd3+ electronic transitions and the vibrational transitions of nearby water molecules are used to determine the stretching spectrum for isotopically dilute OH in a solution of GdCl3 in D2O. The OH stretching spectrum of water molecules in the first hydration sphere is shifted to lower energy than that of the bulk liquid. 相似文献
139.
Fernando A Iñón 《Analytica chimica acta》2003,477(1):59-71
A mathematical model for fitting the experimental ICM (integrated conductimetric method) curves developed by the authors in a previous work, is presented for the first time in this study. The proposed model fits the experimental curves with great precision and allows to predict physical dispersion for single-line flow injection system. The correlation of the model’s parameters with typical reactionless FIA peak parameters is also assessed. The IDQ coefficient—a novel dispersion estimator previously reported by the authors—can also be predicted when operational FIA variables are changed. Experimental and modelled profiles are compared as a function of the system’s variables, showing an excellent agreement. 相似文献
140.