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Original Article

Ab Initio Studies of the Decomposition of Nitrosourea in the Presence of Cations

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Pages 559-566 | Published online: 11 Jun 2009
 

Abstract

Self-consistent (Hartree-Fock) calculations of the process of decomposition of protonated and lithiated syn-N-nitrosourea show that the presence of cations perturbs the electron distribution significantly. The decomposition of nitrosourea is facilitated when a proton or lithium ion is positioned at the oxygen of the nitroso group. These results may suggest clinical experimentation with nitrosoureas used in conjunction with lithium salts.

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