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- By the new method, the intermolecular potential (SW, LJ, Kihara) parameters of HFC125 was determined. 利用新方法拟合得到了HFC12 5的方阱、LJ(6 ;12 )及Kihara势能函数的势能参数 .
- The intermolecular potential energy surface(PES)for C3-Ar system in which the molecular C3 is at its equilibrium structure has been calculated by supramolecule method and CCSD(T) approach with a large basis set containing the bond function set 3s3p2d. 采用超分子耦合簇理论CCSD(T)方法和由键函数3s3p2d组成的大基组;计算得到了范德华体系C3-Ar在C3分子处于线性平衡构型时的全程分子间势能面.
- An anisotropic intermolecular potential of the HeNO complex has been obtained by utilizing the Huxley analytic function to fit the intermolecular energy data,which have been calculated at the theoretical level of the RCCSD(T)/aug-cc-pVTZ+bf. 首先用Huxley势函数拟合在RCCSD(T)/aug-cc-pVTZ+bf理论水平下计算的He-NO相互作用能数据,从而得到了He原子与NO分子相互作用各向异性势;
- New method to improve intermolecular potential model function 流体分子间势能函数改进的新方法
- Calculations of the second virial coefficient of hydrogen fluid were performed by using four intermolecular potentials, Lennard-Jones (LJ), modified Buckingham (exp-6), Silvera-Goldman (SO) and Nellis et al (NBL). 本文根据Lennard-Jones(LJ)势;modified Buckingham(exp-6)势;Silvera-Goldman(SG)势和Nellis et al.
- Determination of intermolecular potential parameters from the second acoustical virial coefficient 用第二音速维里系数确定分子间势能模型参数研究
- Education develops potential abilities. 教育能开发人的潜能。
- Study on the anisotropic intermolecular potential and partial scattering cross sections for He-HF system He-HF体系各向异性势及分波散射截面的研究
- The Molecular Dynamics Method of Computer Simulation with the Exponential-Six Form of Intermolecular Potential in a Canonical Ensemble 六次指数势的正则系综分子动力学模拟
- Keywords the second virial coefficient;acoustical virial coefficient;intermolecular potential parameter;sound speed;HFC125;SW;Lennard Jones;Kihara; 音速维里系数;第二维里系数;势能模型参数;音速;HFC125;
- A salesperson courting a potential customer. 一位正在说服有可能与之成交的顾客的推销员
- He hasn't realized his full potential yet. 他还没有意识到他的全部潜能。
- The dispute has scared away potential investors. 这一争端吓走了潜在的投资者。
- She has acting potential, but she needs training. 她有表演潜力,但需要训练。
- Having equal electric potential. 同电势有相同的电势的
- Intermolecular rearrangements also take place. 分子间重排反应也有可能发生。
- She recognized the potential for error in the method being used. 她意识到在所采用的方法中可能出错。
- But its truly revolutionary character can be seen in its interactive potential. 但它真正革命的特性能够在其相互影响的潜力方面表现出来。
- Every seed is a potential plant. 每颗种籽都可能长成植物。
- intermolecular potential 分子间势,分子间电位