Broken-Symmetry and Approximate Spin-Projected Potential Energy Curves for Bimetallic Systems: A Density Functional Study of M₂Cl₉, M = Cr^III, Mo^III, W^III, and Re^IV

This publication has 43 references indexed in Scilit:

• Valence-Dependent Metal−Metal Bonding and Optical Spectra in Confacial Bioctahedral [Re₂Cl₉]^z- (z = 1, 2, 3). Crystallographic and Computational Characterization of [Re₂Cl₉]^- and [Re₂Cl₉]^2-
  Inorganic Chemistry, 1996
• Optimized Structures of Bimetallic Systems: A Comparison of Full- and Broken-Symmetry Density Functional Calculations
  Inorganic Chemistry, 1996
• Spectroscopic and Electronic Structure Studies of met-Hemerythrin Model Complexes: A Description of the Ferric-Oxo Dimer Bond
  Inorganic Chemistry, 1995
• Approximate density functional theory as a practical tool in molecular energetics and dynamics
  Chemical Reviews, 1991
• Electronic structure, magnetic properties, ESR, and optical spectra for 2-iron ferredoxin models by LCAO-X.alpha. valence bond theory
  Journal of the American Chemical Society, 1984
• Ground-state electronic structures and other electronic properties of the octahedral and oligooctahedral ruthenium complexes hexachlororuthenium(III), nonachlorodiruthenium(III) and dodecachlorotriruthenium(II, 2III)
  Inorganic Chemistry, 1983
• Xα,Cr2, and the symmetry dilemma
  Physical Review A, 1983
• Valence bond description of antiferromagnetic coupling in transition metal dimers
  The Journal of Chemical Physics, 1981
• Relativistic effects on bonding
  The Journal of Chemical Physics, 1981
• Crystal structures of Cs3Cr2Br9, Cs3Mo2Cl9, and Cs3Mo2Br9
  Inorganic Chemistry, 1971