The ionic character percentage 9％ of molecules or crystals is often expressed by dividing the effective charge of the bonding atom with the valence. Barinskii et al. (X-ray Spectroscopic Determination of Atomio Charg...The ionic character percentage 9％ of molecules or crystals is often expressed by dividing the effective charge of the bonding atom with the valence. Barinskii et al. (X-ray Spectroscopic Determination of Atomio Charge in Molecules, Mos-展开更多
This paper is a report on the method for calculating the net charge on the bonding atom with electronegativity suggested by the authors and the calculation formulas for bond energy derived from it. At the same time, t...This paper is a report on the method for calculating the net charge on the bonding atom with electronegativity suggested by the authors and the calculation formulas for bond energy derived from it. At the same time, the empirical rules for conductivity of material were formulated.展开更多
Studying silicates by quantum chemistry, the calculation models of both the silioxenes and the silicic acids were used internationally. The calculated results from these models have been applied to the discussion of t...Studying silicates by quantum chemistry, the calculation models of both the silioxenes and the silicic acids were used internationally. The calculated results from these models have been applied to the discussion of the geometric configuration, electronic states density and spectra of silicates, and they are in agreement with expeximental facts. However, these molecular models have not been used in studying the relative stability of silicates so far.展开更多
文摘The ionic character percentage 9％ of molecules or crystals is often expressed by dividing the effective charge of the bonding atom with the valence. Barinskii et al. (X-ray Spectroscopic Determination of Atomio Charge in Molecules, Mos-
文摘This paper is a report on the method for calculating the net charge on the bonding atom with electronegativity suggested by the authors and the calculation formulas for bond energy derived from it. At the same time, the empirical rules for conductivity of material were formulated.
文摘Studying silicates by quantum chemistry, the calculation models of both the silioxenes and the silicic acids were used internationally. The calculated results from these models have been applied to the discussion of the geometric configuration, electronic states density and spectra of silicates, and they are in agreement with expeximental facts. However, these molecular models have not been used in studying the relative stability of silicates so far.
