红外谱图显示腐殖酸和杀真菌剂之间的氢键和电荷转移键可能是吸附作用产生的机理。
IR spectra showed that H-bonds and charge-transfer bonds between humic acid and fungicides probably operated as mechanisms of adsorption.
得到了它的电子结构，包括分子丛轨道能量本征值谱、态密度、电荷转移等等结果。
It's electronic structure, including spectrum of the ground state valence levels, density of states, and the charge transfer between adsorbate and substrate, is obtained.
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