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Theoretical calculation about the valence and rydberg excited states of hydrogen cyanide.
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相关项目:新型氮氧无机团簇电子结构与热力学性质的研究
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新型氮氧无机团簇电子结构与热力学性质的研究
期刊论文 21
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A DFT Study on the Mechanism of the Coupling Reaction between Chloromethyloxirane and Carbon Dioxide
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A Computational Study on the Chemical Fixation of Carbon Dioxide with Epoxide Catalyzed by LiBr Salt
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Ab initio investigation of hydrogenation of endohedral X@(BN)16 complexes (X = Li+, Na+, K+, Mg2+, N
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Quantum Chemical Study of C(n)Al(2)(+/-) (n=1 similar to 10) Clusters: Structure and Stability
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Ab initio investigation of hydrogenation of (BN)16: A comparison with that of (BN)12
C_nAl_m~+(n=1~12,m=1,2)团簇几何结构特征与稳定性的量子化学研究
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CnAl^+小团簇结构的几何特征与稳定性
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