Modeling environmental effects on charge density distributions in polar organometallics: validation of embedded cluster models for the methyl lithium crystal.
Götz, Kathrin
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
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