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B3LYP calculations of the potential energy surfaces of the thermal dissociations and the triplet ground state of pyrolysis products XN(x̃ 3Σ−) for halogen azides XN3 (X: F, Cl, Br, I)
Yanli Zeng, Lingpeng Meng, Shijun Zheng, Dianxun WangVolume:
378
Year:
2003
Language:
english
Pages:
7
DOI:
10.1016/s0009-2614(03)01265-x
File:
PDF, 425 KB
english, 2003