| 1. | Energy calculation of water induced earthquake at danjiangkou reservoir
丹江口水库诱发地震的能量计算 |
| 2. | Valence electronic structure analysis and cohesive energy calculation of mosi
2价电子结构分析及结合能计算 |
| 3. | Implementation on a computer of electric bicycle frame energy calculation
电动自行车车体能量检测的计算机实现 |
| 4. | It shows that the envelop function in the previous references is good only for wider well in the binding energy calculation
这说明，前人选取的包络函数，在计算杂质束缚能时，只在阱宽较大时适用。 |
| 5. | The following results have been concluded : ( a ) ab initio has its advantages in the calculating of atom cluster containing transition metal , especially in precision and total energy calculations
结果表明： ( 1 )从头计算方法在用于原子簇的计算中有其自身的优势，尤其是在精度和总能量计算方面。 |
| 6. | An atomic smictufal model for c ( 2x2 ) reconstruction is proposed and a total energy calculation illustrates that the hollow - site - occupied si adatom model might be a possible atomic structure of the c ( 2x2 ) reconstruction
光电子发射谱被用于研究界面形成过程中出zp 、 hf4f芯能级谱和价带谱，以及功函数等的变化。 |
| 7. | The main researches were as follows : by the underwater test results of condensed explosive , the optimized test conditions and the several calibration parameters for energy calculation were determined in a small pool
通过对凝聚相炸药水下爆炸能量的测试，确定了在小水池中测试炸药能量的最佳条件及能量计算的修正参数。 |
| 8. | Research interest : surface science ; kikuchi electron holography ; electron multiple - scattering techinques ; molecular dynamical simulations ; ab initio total energy calculations ; self - diffusion on metal surfaces ; dissociative adsorption of h2 on metal surfaces
研究兴趣:表面科学，电子全像术，电子多重散射分析理论技术，分子动力学模拟，第一原则总能量计算，表面原子动态学，氢分子的解离吸附。 |
| 9. | The latter plays a very important role in the study of the mechanism and dynamics of the recognition . it includes the molecular modeling , confirming the binding sites , the calculation of interactions between receptor and ligand , the docking research of the complex , the calculation of dynamic and thermodynamic properties etc . many theoretical calculation methods are involved , such as quantum chemistry , molecular mechanisms , molecular dynamics , monte carlo method and free energy calculation and so on
其中计算机模拟方法是研究分子识别机制及其动态过程的重要途径，包括底物及受体分子模型的构建、底物及受体相互作用位点的确定、相互作用力的计算、底物及受体分子的对接及其动态过程的研究、体系热力学及动力学性质的计算等方面内容。 |
| 10. | The design strategies of energy saving of dwelling are put forward on the planning of dwelling district , shape coefficient of building , room and envelop . this thesis puts forward the design of " stagger shading eastwards or westwards " , the design of " double skins " in dwelling and " the energy calculation method with thermal comfort of room " , and introduces the tests of " heat from south to north " , " shading for west wall " and " stagger shading eastwards or westwards "
第二方面是提出“错列式东西向遮阳板”和在住宅中应用“双层皮”的设想，及“考虑热舒适要求的房间能耗计算方法”的基本思路，并探讨了“南热北送” 、 “西墙遮热板”和“错列式东西向遮阳板”等节能设计手法的实验测试结果。 |
