Article ID Journal Published Year Pages File Type
5420695 Solid State Nuclear Magnetic Resonance 2008 5 Pages PDF
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
, ,