Optimized Geometrics of Bimetallic Systems using Density Functional Theory: a Comparison of the Molecular Orbital and Broken-Symmetry Approaches

T Lovell; J E McGrady; R Stranger; Stuart Alan Macgregor

Optimized Geometrics of Bimetallic Systems using Density Functional Theory: a Comparison of the Molecular Orbital and Broken-Symmetry Approaches

T Lovell, J E McGrady, R Stranger, Stuart Alan Macgregor

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Journal	Inorganic Chemistry
Volume	35
Publication status	Published - 1996

Cite this

@article{db761665fe8e4fc88e9b6bb6bd19c51a,

title = "Optimized Geometrics of Bimetallic Systems using Density Functional Theory: a Comparison of the Molecular Orbital and Broken-Symmetry Approaches",

author = "T Lovell and McGrady, {J E} and R Stranger and Macgregor, {Stuart Alan}",

year = "1996",

language = "English",

volume = "35",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society (ACS)",

}