| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5387137 | Chemical Physics Letters | 2008 | 5 Pages |
Abstract
Quantum calculations are used to analyze the nature and strength of binding of complexes pairing aliphatic amines with the HO and HOO radicals, with particular emphasis on the comparison of HO with HOO. MP2/6-311++G(3df, 3pd) binding energies vary from 28 kJ/mol for CH3NH2â¯HO to a maximum of 56 kJ/mol for (CH3)2NHâ¯HOO.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mohammad Solimannejad, Claus J. Nielsen, Steve Scheiner,