与其他量子力学计算结果比较,表明这种动力学李代数方法在预言有机共轭分子的非线性光学性质上同样有用。
Compared with other quantum calculations, DLA method appears to provide an effective method for the calculation of the hyperpolarizability of conjugated organic molecules.
在概述分子轨道中的微扰理论的基础上,重点对微扰法、能量相同和不同的基础轨道的微扰进行了深入的论述,并进一步分析了这一理论在有机共轭体系中的应。
The theory in the micro-interference of molecular orbits is generalized in this paper and especially the method of micro-interference with basal orbits in different energy is probed.
综述了最近几年来,功能化富勒烯有机小分子、 共轭高分子和金属配合物发光材料的国内外研究状况及应用。
The recent progress and application of functional fullerene organic luminescent materials , including low molecules, conjugated polymers and rare metal complexes , are reviewed in this paper.
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