机译:(ZrO2)n(n = 3 --- 6)团簇的稳定性,红外光谱和电子结构:DFT研究
^pof;
Molecule;
and;
Materials;
Simulation,;
Key;
Lab;
for;
Nanomaterials,;
Ministry;
of;
Education,;
Beijing;
University;
of;
Chemical;
Technology,;
Beijing;
100029,;
China;
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Physics,;
Tianjin;
Polytechnic;
University,;
Tianjin;
300160,;
China;
^pInstitute;
of;
Petroleum;
Processing,;
SINOPEC,;
Beijing;
100083,;
China;
化学稳定性; 电子结构; 氧化锆; DFT; 集群; 光谱; 红外; 最低能量结构;