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Paul S. Bagus

Veröffentlichungen von Paul S. Bagus zu Nelin, Constance J.. ->
weitere Veröffentlichungen von Paul S. Bagus:
Electron correlation and the reality of xenon difluoride (1975)
Electronic structure and properties of krypton difluoride (1972)
Metal-phosphine bonding revisited. .sigma.-Basicity, .pi.-acidity, and the role of phosphorus d orbitals in zerovalent metal-phospine complexes (1992)
Corresponding orbital analysis of the bonding of some monosubstituted benzenes (1985)
Cluster calculations of CO chemisorbed on the bridge site of Pd(100) (1990)
All electron versus pseudopotentials in ab initio chemisorption cluster model calculations (1991)
Decomposition of the chemisorption bond by constrained variations: Order of the variations and construction of the variational spaces (1992)
Ionic and covalent electronic states for K adsorbed on Cu5 and Cu25 cluster models of the Cu(100) surface (1995)
Molecular orbital cluster model study of bonding and vibrations of CO adsorbed on MgO surface (1992)
Ab initio SCF computation of force constants for CO2 (1976)
Structure and energetics of simple carbenes methylene, fluoromethylene, chloromethylene, bromomethylene, difluoromethylene, and dichloromethylene (1977)
Self-consistent field calculations of hole states of carbon monoxide. Electron density functions by computer graphics (1974)
Bond ionicity of the halogen–silver interaction (1989)
On the potential energy surface for collinear OH+2 (4Σ−) (1991)
Bonding geometry and bonding character of thiocyanate adsorbed on a Ag(100) surface (1991)
Veröffentlichungen zu Nelin, Constance J..
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Bauschlicher, Charles W.., Nelin@f @f, Constance J.., ... Transition metal oxides: CrO, MoO, NiO, PdO, AgO
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 82, No. 7 (1985), p. 3265-3276
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Bauschlicher, Charles W.., Bagus, Paul S.., ... The nature of the bonding in XCO for X=Fe, Ni, and Cu
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 85, No. 1 (1986), p. 354-364
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