采用进化的视角并吸收了分子生物学的最新成果，社会生物学为人性研究开辟了新的研究方法和理论视野。
Adopt the evolution theory and absorb the new achievements of molecule biology, sociobiology gives a new perspective and method for human nature research.
和许许多多原子的实验谱和理论计算结果相比较，强外场中的里德堡分子的光吸收谱和回归谱的计算正在引起人们的关注。
Comparing to a lot of the experimental spectra and theoretical calculation results, the photoabsorption spectra of the Rydberg molecules in strong external field have attracted little attention.
根据时间关联函数理论，可以结合分子动力学模拟而计算团簇的红外吸收谱。
According to the time correlation function theory, the infrared spectrum of clusters can be calculated by using the molecular dynamics simulation.
给出了监测外场激发下分子动力学过程的瞬态吸收信号的确切理论表述。
An exact formulation is presented for calculating transient probe absorption signals to monitor the molecular dynamics excited via arbitrary external fields.
用密度泛函理论计算了氧分子物理吸附在半导体型单壁碳纳米管的束缚能，能带结构和吸收光谱。
The binding energy, energy band structure and optical properties of the oxygen physical adsorption on semiconducting single-wall carbon nanotube are studied by the density functional theory.
用密度泛函理论计算了氧分子物理吸附在半导体型单壁碳纳米管的束缚能，能带结构和吸收光谱。
The binding energy, energy band structure and optical properties of the oxygen physical adsorption on semiconducting single-wall carbon nanotube are studied by the density functional theory.
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