... 吸附模型 量子化学 [gap=1147]Keywords】: corrosion inhibition,mass loss,polarization,adsorption model,quantum chemical ...
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Quantum Chemical Calculation 叠氮基
quantum-chemical computational model 量子化学计算模型
AM1 quantum chemical methods AM1量子化学方法
quantum chemical computation 量子化学计算
quantum-chemical 量子化学
The quantum chemical calculation verifies the validity of the above conclusion.
量子化学的计算证明了上述结论的正确性。
Three types of methods for quantum chemical calculations have been proposed according to the correlation effects.
根据相关效应，建议将分子的量子力学计算方法分为三类。
The absorption spectrum by using CIS method of quantum chemical calculation agrees with the experimental spectrum.
由量化计算中的CIS方法所获得的吸收谱理论值与实验值吻合较好。
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