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- Natural bond orbital (NBO) analysis was performed to reveal the origin of the interaction between hosts and objects. 用自然键轨道(NBO)分析揭示了主客体相互作用的本质。
- Theories of nature bond orbital（NBO）and atoms in molecules (AIM) were used to discuss bond nature and relative stabilities of such conformers. 利用自然键轨道理论(NBO)和分子中的原子理论(AIM)分析了这些异构体的成键特征、相对稳定性。
- The results of the natural bond orbital (NBO) analyses also show that donor to acceptor interactions make mainly contribution to the stabilities of complexes. NBO分析结果也说明在相互作用体系中,电子给体轨道与电子受体轨道之间的相互作用(即电荷转移相互作用)对于维持相互作用体系的稳定都起着非常重要的作用;
- The changes of atomic charge assignments have been investigated using Natural Bond Orbital (NBO) analysis and indicate some charges have transferred to the anion from the cation. 此外通过自然键轨道(NBO)分析阴阳离子间的电荷分布，发现阴阳离子间有电荷转移，且该C-H键上的氢原子电荷变化最为明显。
- Through analysis on the structure of valence electron shell, the atom radius, the bonding orbital and other important parameters, this paper discusses the irregularity in the second circle of nonmetal elements and the irregular courses. 摘要本文通过对第二周期元素价电子层结构、原子半径、成键轨道及其重要参数的分析，讨论了第二周期非金属元素的不规则现象，并且分析了产生这些不规则性的原因。
- Geometry optimization and natural bond orbital analyses for Re2(edt)4 were carried out with B3LYP method. Molecular orbitals and excited states for Re2(edt)4 were calculated with single excitation configuration interactions (CIS) method. 用密度泛函理论中的B3LYP/CEP-4G方法对Re2（edt）4进行了结构优化和自然键轨道计算,并用单电子激发组态相互作用方法（CIS）计算了Re2（edt）4的分子轨道和激发态。
- You need a strong adhesive to bond wood to metal. 需要强力胶才能把木料粘在金属上。
- The spacecraft is in orbit around the moon. 该航天器在绕月球轨道运行。
- This glue makes a good firm bond. 这种胶水粘得很结实。
- Common tastes form a bond between the two men. 共同的爱好使两人结交为朋友。
- The space shuttle will orbit a weather satellite. 太空梭将把一个气象卫星送入运行轨道。
- The bond that binds the smugglers together is a rope of sand. 把走私犯联接起来的是条沙做的绳子，一碰就碎。
- The launch vehicle lifts the satellite into orbit. 太空火箭将人造卫星送入运行轨道。
- Common interests formed a bond between us. 共同的利益把我们联系在一起。
- Identity of interests is the bond that unites them. 利害的一致是把他们联合起来的纽带。
- Something of circular form; a circle or an orbit. 圆形物体圆形物体; 圆圈或环形轨道
- A unifying bond, especially a marriage bond. 结合一种联结的纽带，尤指婚姻纽带
- The spacecraft is in orbit (ie moving in orbit) round the moon. 该航天器在绕月球轨道上飞行。
- Marketing does not come within the orbit of his department. 市场推销业务不归他这一部门管。
- Keywords DFT method;interaction;charge transferring;binding energy;Natural bond orbital （NBO） analysis; 密度泛函（DFT）;相互作用;结合能;电荷转移;NBO分析;
