molecular theoretical energy 中文意思是什麼

molecular theoretical energy 解釋
分子理論能量
  • molecular : adj. 分子的,由分子形成的,分子內[間]的。adv. -ly
  • theoretical : adj. 1. 理論（上）的，學理上的 （opp. applied）。2. 假設（性）的；純理論的，推理的。3. 空論的 （opp. practical）。adv. -ly
  • energy : n. 1. 干勁，活力。2. （語言、行為等的）生動。3. 〈pl. 〉 （個人的）精力；能力。4. 【物理學】能，能量。
  1. Collisonal quantum interference ( cqi ) was observed in the intramolecular rotational energy transfer in the experiment of the static cell, and the integral interference angles were measured. to observe more precise information, the experiment in the molecular beam should be taken, from which the differential interference angle can be obtained precisely. in this paper, the theoretical model of cqi is described in an atom - diatom system in the condition of the molecular beam, based on the first - born approximation of time dependent perturbation theory, taking into accounts the anisotropic lennard - jones interaction potentials. the method of observing and measuring correctly the differential interference angle is presented. the changing tendencies of the differential interference angle with the impact parameter, velocity, and et al. are discussed

    分子內部轉動傳能的靜態池實驗觀察到了碰撞量子干涉效應（ cqi ） ，並且測得積分干涉角，為了獲得更加精確的分子內部轉動傳能的碰撞量子干涉效應信息，實驗就必須要採用分子束實驗進行.本文理論上採用各項異性相互作用勢，應用含時微擾理論的一級波恩近似，假想在分子束實驗的條件下，建立在原子-雙原子分子體系中碰撞量子干涉的理論模型.理論上推導出微分干涉角具體表達式，通過計算定性地討論了微分干涉角隨著碰撞參數、速率等的變化趨勢，同時初步探討了實驗的正確觀測途徑，得出了採用分子束進行實驗觀測的實驗方法，為進一步進行分子束實驗提供了理論基礎，對實驗的進行起到了一定的借鑒作用
  2. Abstract : theoretical linear solvation energy relationship ( tlser ) which can be used to predict the relationship between physicochemical property and molecular structures of the solvents has been established

    文摘:建立了適合於描述溶劑效應的理論線性溶劑化能相關（ tlser ）模型。
  3. 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

    其中計算機模擬方法是研究分子識別機制及其動態過程的重要途徑，包括底物及受體分子模型的構建、底物及受體相互作用位點的確定、相互作用力的計算、底物及受體分子的對接及其動態過程的研究、體系熱力學及動力學性質的計算等方面內容。
  4. The fabrication methods such as molecular - beam epitaxy and metal - organic chemical vapor deposition and experimental studies of their properties have been reported, and theoretical studies mainly concentrate on the impurity binding energy varying the size of the wire, the effect of the applied electric field or magnetic field, and photoionization of impurities

    在實驗上已經用分子束外延和金屬有機化學汽相淀積等技術對其物理性質進行了廣泛的研究，而理論上的研究主要集中於研究量子線的尺寸對雜質束縛能的影響、外加電場或磁場的作用及雜質的光致電離效應。
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