Molecular orbital calculations on copper chloride complexes
- Ros, P.
- Avoird, A. van der
- Schuit, G.C.A.
DOIAbstract
Contains fulltext : 7064.pdf (publisher's version ) (Open Access
Contains fulltext : 7064.pdf (publisher's version ) (Open Access
The important intermediate phenyl-copper metal complexes [C6H5Cum](-) (m = 1-3), which are produced ...
During the last decade, the concern of theoretical chemists has rested largely with approximate calc...
Hydrogen bond type interactions X–H···Y– (X: C, N, O; Y: Cl) for systems that contain 1,3-imidazole ...
The M.O. calcn. is of the Wolfsberg-Helmholtz type. However, in contrast to the usual empirical detn...
The electronic structures of the tetranuclear copper(I)complexes [Cu 4(μ-H 2PCH 2PH 2) 4(μ 4-E)] 2+ ...
The molecular orbitals of bis(maleonitriledithiolato)copper(III)- were calculated by the ASED-MO met...
Molecular Orbital Calculations of Toluene Halide DerivativesMolecular Orbital Calculations of Toluen...
Self-consistent charge and configuration (SCCC) molecular orbital calculations are reported for 32 s...
Ab initio computations on CuO were performed with the Hartree-Fock method and a proper dissociation ...
We investigated noble gas copper bonds in linear complexes represented by the NgCuX general formula ...
Contains fulltext : 7023.pdf (publisher's version ) (Open Access
The inner-sphere reorganization energy for several copper complexes related to the active site in bl...
A model for the gas phase oxidation of hydrogen chloride in the presence of copper (II) chloride (th...
The electronic structure and the UV- vis spectrum of reduced and oxidized model systems of the N, N'...
UV/VIS Electron excitation spectra have been computed for large, realistic model systems of the blue...
The important intermediate phenyl-copper metal complexes [C6H5Cum](-) (m = 1-3), which are produced ...
During the last decade, the concern of theoretical chemists has rested largely with approximate calc...
Hydrogen bond type interactions X–H···Y– (X: C, N, O; Y: Cl) for systems that contain 1,3-imidazole ...
The M.O. calcn. is of the Wolfsberg-Helmholtz type. However, in contrast to the usual empirical detn...
The electronic structures of the tetranuclear copper(I)complexes [Cu 4(μ-H 2PCH 2PH 2) 4(μ 4-E)] 2+ ...
The molecular orbitals of bis(maleonitriledithiolato)copper(III)- were calculated by the ASED-MO met...
Molecular Orbital Calculations of Toluene Halide DerivativesMolecular Orbital Calculations of Toluen...
Self-consistent charge and configuration (SCCC) molecular orbital calculations are reported for 32 s...
Ab initio computations on CuO were performed with the Hartree-Fock method and a proper dissociation ...
We investigated noble gas copper bonds in linear complexes represented by the NgCuX general formula ...
Contains fulltext : 7023.pdf (publisher's version ) (Open Access
The inner-sphere reorganization energy for several copper complexes related to the active site in bl...
A model for the gas phase oxidation of hydrogen chloride in the presence of copper (II) chloride (th...
The electronic structure and the UV- vis spectrum of reduced and oxidized model systems of the N, N'...
UV/VIS Electron excitation spectra have been computed for large, realistic model systems of the blue...
The important intermediate phenyl-copper metal complexes [C6H5Cum](-) (m = 1-3), which are produced ...
During the last decade, the concern of theoretical chemists has rested largely with approximate calc...
Hydrogen bond type interactions X–H···Y– (X: C, N, O; Y: Cl) for systems that contain 1,3-imidazole ...
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