Based on the two basic characteristics,the distance between atoms and the connectivity among atoms,a new molecular distance connectivity vector of alkanes is proposed to describe the molecular structure of compounds. Quantitative structure property relationship on two important thermodynamic properties,heat of atomization and heat of vaporization,of 74 alkanes from two to nine carbon atoms is proposed by multiple linear regression method. The result shows that the new molecular distance connectivity vector has both excellent structural selectivity and property relativity.
Simultaneity,we also discuss the relationship between the molecular topology indices and the hot-atom(HA). The result shows that the indices and hot-atom(HA) have good structure—qualitative relativity
C-H bond energy in the molecules remains certain. Average C-C bond energy of single molecule is a linear function of average total bond order. Heat Calculation of formation according to the additivity of bond energies is quite accurate.
The average heat of atomization of semiconducting glasses on the As2Te3 base, containing silicon, germanium and thallium is calculated from the heats of atomization of constituting elements.
The relationship between the optical gap (ΔEg) and chemical composition is also discussed in terms of the average heat of atomization (Hs) and the average coordination number (r).
The range Tm-Tk is found to correlate with the coefficients ?Tm/?p and ?Tk/?p, the atomization heat ΔHat, the melting heat ΔHm, the bulk compression modulus K, the work function Ae, and the valence electron density.
A method has been developed to study the dynamics of high barrier reactions by combining hot-atom production by laser photolysis and fast-product detection by laser induced fluorescence.
In the accelerator facility, several scientific programs for producing radioactivity have been performed in several fields, such as photon-activation analysis, nuclear chemistry, hot-atom chemistry, and radioactive tracers for material science.
In the accelerator facility, several scientific programs for producing radioactivity have been performed in several fields, such as photon-activation analysis, nuclear chemistry, hot-atom chemistry, and radioactive tracers for material science.
The earliest and simplest form of the molecular orbital theory of conjugated molecules (HMO) was proposed in 1931 and is still to be improved. One of the current tendency is to find out a systematic and common set of parameters h and k for each kind of heteroatom. In the present paper, the HMO calculation with the parameters h and k for the three isomerio disubstituted benzenes (see Fig. 1, all figures and equations are shown in the Chinese Text.) was performed in a wide range in order to assess whether a c...
The paper proposes an extended additivity of bond energies in conjugated hydrocarbon. C-H bond energy in the molecules remains certain. Average C-C bond energy of single molecule is a linear function of average total bond order. Heat Calculation of formation according to the additivity of bond energies is quite accurate.
The influences of H2 and O2 on the absorption signals of As and Se in a heated quartz tube were studied. The experimental results show that influence of H2 on the atomization of AsH3 is obviously larger than that of H2 on the atomization of SeH2. Only in the presence of H2 can air increase the absorption signal of AsH3. However, influence of air on the absorption signal of Se seems to be the suppressible effect whether H2 is present or absent. It is hence proposed that the atomization mechanism of AsH3 adso...
原子化热
heat of atomization
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