Optimized structures of bimetallic systems: A comparison of full- and broken-symmetry density functional calculations

Gelijkaardige items

• 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
  door: McGrady, J, et al.
  Gepubliceerd in: (1997)
• Density-functional study of the ground- and excited-spin states of [M(2)Cl(9)](3-) (M=Mo or W) face-shared dimers: Consequences for structural variation in A(3)M(2)Cl(9) complexes
  door: Stranger, R, et al.
  Gepubliceerd in: (1996)
• Metal-metal bonding in d(1)d(1) and d(2)d(2) bioctahedral dimer systems: A density functional study of face-shared M2X93- (M = Ti, Zr, Hf, V, Nb, Ta) complexes
  door: Stranger, R, et al.
  Gepubliceerd in: (1998)
• On the mechanism of water oxidation by a bimetallic manganese catalyst: a density functional study.
  door: Sameera, WM, et al.
  Gepubliceerd in: (2011)
• Probing periodic trends in metal-metal bonding using density functional theory.
  door: Stranger, R, et al.
  Gepubliceerd in: (2000)