查询词典 orbital

The energy levels of free metallic ion were calculated with a 13 parameters model including the 2-body and 3-body interactions. The Stark energy levels of crystal field were calculated using the model proposed by Newman based on 1 electron orbital approximation The f-f oscillator strength calculation includes the contribution of electrostatic-induced, ligand polarization, vibronic-induced, magnetic dipolar transitions.

其中，自由f离子能级计算采用包括双电子与叁电子组态相互作用的二三参数模型，晶体场Stark分裂计算采用单电子轨道近似，用Newman角叠加模型计算晶体场参数。f-f跃迁振子强度计算包括静电诱导偶极跃、配体极化偶极跃、振动诱导电偶极跃迁及磁偶极跃迁的贡献。

Furthermore,the orbital stability of the standing waves is also obtained.

进一步，证明了其所有驻波是轨道稳定的。

At some point the stability of the orbital electrons in the ordinary sense must be destroyed as more protons are added to the nucleus.

某些电子轨道稳定性的要点在一般判断必需要破坏如大多质子增加到原子核之中。

The atomic net charge, population of frontier molecular orbital, stability and reactive properties of free radicals were analyzed, the mechanism of graft polymerization was discussed.

同时采用量子化学abinitio UHF方法在6-31G基组水平上对两类淀粉链段自由基模型进行几何优化，分析体系的净电荷、前线分子轨道分布规律，以及自由基的稳定性和反应活性特征，揭示接枝共聚反应机理。

Epidemic ; mathematical model ; threshold ; basic reproductive number ; nonlinearity ; high dimensional differential system ; global stability ; orbital asymptotical stability

流行病；数学模型；阈值；基本再生数；非线性；高维自治微分系统；全局稳定性；轨道渐近稳定

Several transient compounds were synthesized by the homo- and heterogeneous reactions of reactive halogen compounds, In-situ ultraviolet photoelectron spectroscopy and photoionization mass spectroscopy as well as theoretical calculations were used to study their molecular structures, stability and molecular orbital properties, their electronic structures and geometric structures were obtained for the first time; Simultaneously, the electronic structure and thermal dissociation of acetyl peroxynitrate and trifluoroacetyl peroxynitrate which have great importance in the atmospheric chemistry were studied; The substituent effects of series of halopyridines and halothiophenes were studied by the ultraviolet photoelectron spectroscopy method for the first time. The atmospheric chemical reaction between peroxyacetyl radicals with IO radicals as well as the dissociation of the most stable isomer of CH3COIO3 were calculated by density functional theory, it was found that the CH3COOIO2 isomer may be act as a new reservoir of inorganic iodine in the stratosphere.

通过活性卤素的系列均相与非均相化学反应合成了几种瞬态物种，采用原位紫外光电子能谱和光电离质谱结合量子化学理论计算对化合物的分子结构、稳定性以及分子轨道特性进行了研究，首次获得了这些物种的电子结构和几何结构的信息；同时研究了大气中有重要作用的乙酰过氧硝酸酯和三氟乙酰过氧硝酸酯的电子结构性质及热解过程；采用紫外光电子能谱手段首次研究了系列卤代吡啶和噻吩的取代基效应；通过量子化学理论计算研究了乙酰基过氧自由基与IO自由基的大气化学反应及其最稳定异构体CH3COOIO2的解离，发现该物种可能是无机碘化合物在平流层中的储库物种。

On the other hand, in the ground state of NiSin(n=1-6) and Ni2Sin(n=1-6) clusters, electronic charges is transferred from Si-Si bond to Ni-Si bond, forming Ni-Si covalent bond, and the Mulliken overlap population of Ni-Si is positive, which I'orming bonding orbital and contribute to the stability of clusters.

另外，基态NiSi_n(n=1-6)团簇中，电荷从Si-Si键向Ni-Si键转移，形成Ni-Si共价键，Ni-Si重叠布局为正，为成键轨道，增强团簇的稳定性。

Shallow water wave systems; Painleve property; solitary wave; classification; Backlund transformation; Hamilton structure; conservation laws; orbital stability; linear stability; tsunamis models

浅水波系统； Painleve性质；孤立波； Backlund变换；分类； Hamilton结构；守恒量；轨道稳定性；线性稳定性；海啸模型

You will now have a new set of improved orbital elements.

你现在有了新的经过改进的轨道参数。

Objective: To investigate the clinical diagnosis and treatment of orbital rhabdomyosarcoma.

目的：探讨眼眶横纹肌肉瘤的临床诊断及治疗方法。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。