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 Engineering & Physical Sciences

Research output: Contribution to journal › Article

Original language	English
Pages (from-to)	3079
Number of pages	1
Journal	Inorganic Chemistry
Volume	35
Publication status	Published - 1996

Cite this

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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",

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pages = "3079",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Optimized Geometrics of Bimetallic Systems using Density Functional Theory: a Comparison of the Molecular Orbital and Broken-Symmetry Approaches

AU - Lovell, T

AU - McGrady, J E

AU - Stranger, R

AU - Macgregor, Stuart Alan

PY - 1996

Y1 - 1996

UR - https://www.scopus.com/pages/publications/0001758758

M3 - Article

SN - 0020-1669

VL - 35

SP - 3079

JO - Inorganic Chemistry

JF - Inorganic Chemistry

ER -

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

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