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Study of the structure of molecular complexes. VII. Effect of correlation energy corrections to the Hartree-Fock water-water potential on Monte Carlo simulations of liquid water

โœ Scribed by Kistenmacher, H.


Book ID
120521283
Publisher
American Institute of Physics
Year
1974
Tongue
English
Weight
1002 KB
Volume
60
Category
Article
ISSN
0021-9606

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Monte-Carlo simulations are used to investigate the effects of multiple ionization on the formation of HO ร… 2 /O ร…ร€ 2 and H 2 O 2 in the radiolysis of water by 12 C 6รพ ions up to $430 keV/lm, at neutral pH and 25 ยฐC. Taking into account the double and triple ionizations of water molecules, the prima