EHOMO

常見例句

Highest occupied molecular orbital energy (Ehomo) of frontier molecular orbital (FMO), molecular connecticity (nXv) indices and partition coefficients (Kow) of organic chemicals were used to study the structure and activity of some new oximido compounds.
以有機肟類化合物為研究對象，利用分子前沿軌道能和分子連接性指數(shù)等參數(shù)為分子表征因子，對肟類化合物的急性生物毒性進行定量結(jié)果一活性相關(guān)預(yù)測。