您要查找的是不是:
- 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。
- 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;
- 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。
- This non sequitur invalidates his argument. 他不根据前提推理因而论证无效。
- The function (1s+) is a hybridized atomic orbital. 函数(1s+)是一个杂化的原子轨道。
- The atom bomb is of catholic concern. 原子弹受到普遍的关注。
- That cannot get up an atom of sympathy for them. 那并不能激发起人们对他们的丝毫同情。
- Patience is a sine qua non for a good teacher. 做个优秀教师必不可少的条件是要有耐心。
- The ship was sunk by an atomic submarine. 这艘船是被一艘核潜艇击沉的。
- 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 diplomat was declared persona non grata. 这位外交家被宣布为不受欢迎的使节。
- Scientists have unlocked the secret of the atom. 科学家已经揭开了原子的秘密。
- 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。
- Our first atomic reactor was built in1958. 我们第一个原子反应堆建于1958年。
- He is declared personal non grata and forced to leave the country. 他被宣布为不受欢迎的人而被迫离开该国。
- An atomic bomb can annihilate a city. 一枚原子弹能毁灭一个城市。