Modeling environmental effects on charge density distributions in polar organometallics: validation of embedded cluster models for the methyl lithium crystal. [electronic resource]
- Journal of computational chemistry Nov 2010
- 2568-76 p. digital
Publication Type: Journal Article
1096-987X
10.1002/jcc.21548 doi
Crystallography, X-Ray Lithium--chemistry Models, Chemical Models, Molecular Molecular Dynamics Simulation Organometallic Compounds--chemistry Quantum Theory