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DFT:B3LYP ab initio molecular dynamics study of the Zundel and Eigen proton complexes, H[sub 5]O[sub 2][sup +] and H[sub 9]O[sub 4][sup +], in the triplet state in gas phase and solution
Tulub, Alexander A.Volume:
120
Year:
2004
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1632473
File:
PDF, 616 KB
english, 2004