| 1. | Density functional theory studies of the core excited 的内层电子激发能的密度泛函理论研究 |
| 2. | Recent progress in density functional theory and its numerical methods 密度泛函理论及其数值方法新进展 |
| 3. | Tell me more about how castep uses density functional theory 关于castep怎么使用密度告诉我更多功能的理论。 |
| 4. | Density functional theory ; taube ion ; vibration mode ; electron transfer 密度泛函taube离子振动模电荷转移 |
| 5. | Density functional theory calculations on tautomerism of 2 - thiopyrimidine 巯基嘧啶互变异构的密度泛函理论计算 |
| 6. | Density functional theory 密度泛函理论 |
| 7. | Systematic characterization of glycine conformers via density functional theory 采用密度泛函理论系统表征苷氨酸构象体的研究 |
| 8. | Density functional theory studies of the core excited energies ofhgba2cacu2o6 Hgba2cacu2o6的内层电子激发能的密度泛函理论研究 |
| 9. | Electronegativity scale of elements calculated by density functional theory and related methods 以密度泛函理论及相关方法计算电负性标度 |
| 10. | Density functional theory study on the electronic structure and the orbital magnetic moment of co2ysn y 电子结构和轨道磁性的第一性原理研究 |