Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5420695 | Solid State Nuclear Magnetic Resonance | 2008 | 5 Pages |
Abstract
The complexes of dinitrogen with five cations (H+, Li+, Na+, Be2+ and Mg2+) up to four N2 molecules have been calculated at the MP2/6-311++G(d,p) level. Energetic and geometric aspects have been determined together with absolute shieldings (GIAO). The atoms in molecules methodology has been used to analyze energy, charge and volume of these complexes.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ibon Alkorta, José Elguero,