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Diffusion Monte Carlo calculations on LaB molecule
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作者 Nagat Elkahwagy Atif Ismail +1 位作者 S M A Maizet K R Mahmoud 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第9期241-246,共6页
Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio calculations.The diffusion Monte Carlo method has been employed in combination with three different trial func... Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio calculations.The diffusion Monte Carlo method has been employed in combination with three different trial functions. Spectroscopic constants have also been numerically derived for the neutral molecule and compared with the only available theoretical work;^([19]) however, predictions are provided for the corresponding constants for the anionic species which have not been reported yet. Our calculations suggest the high spin quintet state of LaB as the ground state with the triplet state higher in energy irrespective of the type of the functional used. This suggestion is in good accordance with the previous theoretical results calculated at B3LYP/LANL2DZ level of theory, whereas it contradicts with the prediction based upon B3LYP/SDD calculations in the same study. Moreover, variations of the permanent dipole moments as a function of the internuclear separations for the two electronic states of the neutral molecule have been studied and analyzed. 展开更多
关键词 potential energy curve lanthanum boride diffusion Monte Carlo dipole moment
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Influence of the Thermal Treatments on the Structural Relaxation in a Metallic Glass Al80Fe8Mo7TNi5
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作者 Mohamed Abo-Elsoud Awad AI-Rashdi 《材料科学与工程(中英文A版)》 2013年第4期256-262,共7页
关键词 结构松弛 金属玻璃 扫描电子显微镜 热处理 结晶过程 正电子湮没 多普勒展宽 X-射线
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The Effectiveness of Using Constructive Learning Strategies in Teaching English Language on Developing the Achievement of Grammar, Translation, and Critical Thinking Skills for the Third Grade Intermediate Students
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作者 Dr. Fahad Majed A1Shareef 《Sino-US English Teaching》 2015年第9期701-720,共20页
The study aimed to reveal the effectiveness of the integration between some constructive learning strategies in teaching a unit of the English language course to collect translation skills, using grammar, and the acqu... The study aimed to reveal the effectiveness of the integration between some constructive learning strategies in teaching a unit of the English language course to collect translation skills, using grammar, and the acquisition of critical thinking skills for intermediate third grade students in Mecca. Also, it aimed to acknowledge the statistical differences between the modified averages for the study sample groups degrees in the dimensional collecting of grammar and translation skills at the knowledge of the grammar level and using it, and at the macro level for collecting translation and grammar skills after adjusting the old collecting, as well as the knowledge of the statistical differences between the modified averages for the study sample groups in the total telemetric for the critical thinking skills after adjusting the old collecting. To achieve the study objectives, the researcher used the semi-experimental method that had several experimental groups (four groups), and applied it to a sample of intermediate third-grade students in the city of Makkah (99 students) in teaching the unit of the English language course, which is (Healthy Eating) in the second semester in 2011/2012. After using the appropriate statistical methods, the study came to a result that there are no statistically significant differences in the old implementation for the test of skills of academic achievement of grammar, translation, and critical thinking skills, and that there are statistically significant differences in the new implementation due to the four strategies. According to the results of the study, the researcher recommended a number of recommendations including: the necessity to focus on the constructive theory in teaching English language skills, the importance of expanding the use of the suggested integrative oriented and its development in the field of English language teaching, to hold an intensive training courses for teachers of the English language to train them on using the suggested integrative strategy, the emphasis on the importance of the curriculum activities which focus on the integration between the constructive learning strategies, the importance of expanding of scientific research in the field of integrative strategies, and the development of synthesis methods that combine two strategies or more. 展开更多
关键词 constructive learning critical thinking third grade intermediate students
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