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1. In this paper AM1 semiempirical quantum chemical calculation was used to study the motion of phenyl rings in PEEK chains.
2. This paper also presented a semiempirical relationship of dipolar layer capacitance and coupling capacitance.
3. In the early research, the empirical or semiempirical formulae of the ROP are derived from the laboratory or field data collected by the researchers.
4. A semiempirical inverse equation was used to characterize the HTC-air gap relation across the whole stages for experimental data from literature.
5. Based on the penetration theory, a new semiempirical relationship for the prediction of the number of mass transfer units is given.
6. Experimental investigations show that the semiempirical concavity calculation formulation given here are practical.
7. A semiempirical additivity rule has been presented. This model is simple but more effective and is of certain value for further research in calculation of total cross sections.
8. Therefore, PM3 method is the best one for predicting heats of formation for energetic materials among the four semiempirical MO methods.
9. Results of calculation have been compared with experimental data of two kinds of DB propellants and the semiempirical theory has proved to be correct.
10. The relationship between bond valence and bond covalency has been investigated by a semiempirical method.
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11. The penetration predicted by this model is fairly close to the result calculated by Hiroyasu's semiempirical formula.
12. The molecular orbital coefficients are determined by means of a semiempirical method in the calculation.
13. Presently, the calculation of rolling force and energy on rolling mill has large enough error no matter what theoretical model, empirical or semiempirical model is used.
14. We propose the coupled-cluster equation of motion method coupled with semiempirical Hamiltonian to calculate the multi-photon absorption cross-section for complex molecular systems.
15. The electronic structures of 10 kinds of D-form and L-form amino acids have been investigated by employing AM1 semiempirical quantum chemical method firstly.
16. In this paper, an effective method of simulating the distributions of climatic elements in mountainous areas by using semiempirical theory is presented.
17. A better agreement is found in the geometry between semiempirical and ab initio transition states, and a greater deviation in the activation energy, in which.
18. The structure antioxidation relationship of typical flavonoid antioxidants is investigated by means of structural chemistry and the semiempirical calculation method of quantum chemistry.
19. Building codes treat these effects as static phenomena and relate them to the actual conditions through semiempirical equations.
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