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A B3LYP and MP2(full) theoretical investigation into explosive sensitivity upon the formation of the molecule-cation interaction between the nitro group of 3,4-dinitropyrazole and H+, Li+, Na+, Be2+or Mg2+
Shan Du, Yong Wang, Li-zhen Chen, Wen-jing Shi, Fu-de Ren, Yong-xiang Li, Jian-long Wang, Duan-lin CaoVolume:
18
Language:
english
Pages:
11
DOI:
10.1007/s00894-011-1229-7
Date:
May, 2012
File:
PDF, 412 KB
english, 2012