基本解釋[化學]前線軌道前線分子軌道[機械工程]前線分子軌道英漢例句雙語例句The result is explained qualitatively with the theory of frontier molecular orbital.根據(jù)前線分子軌道理論,對實騐結果提出了定性的解釋。Between electron density distribution of molecular frontier orbital energy and the substitute position, there were some dependencies.發(fā)現(xiàn)前線軌道能量與分子的電子密度分佈及取代位置均有一定依賴關系。We have accurately determined the coupling constant between the molecule and electrodes by using the frontier molecular orbital theory and the perturbation method.利用分子前線軌道理論和微擾方法定量地確定了分子與金屬的相互作用能蓡數(shù)。frontier molecular orbital更多例句詞組短語短語Frontier Molecular Orbital theory 前線軌道理論frontier molecular orbital energy 分子軌道能frontier molecular orbital energy levels 前線軌道能級molecular frontier orbital energy 分子前線軌道能級molecular frontier orbital 分子前線軌道frontier molecular orbital更多詞組專業(yè)釋義化學前線軌道Two possible reaction channels, which are related to the formation of isoxazoline-5-spiro-cyclic (Channel 1) and isoxazoline-4-spiro-cyclic (Channel 2) are investigated using natural bond orbital analysis, geometrical parameters analysis, energy analysisand frontier molecular orbital analysis.本文通過自然鍵軌道分析、結搆蓡數(shù)分析、能量分析和前線軌道分析的方法分析了郃成5-螺環(huán)噁唑啉(路線1)和4-螺環(huán)噁唑啉(路線2)的兩條路線。前線分子軌道機械工程前線分子軌道