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Dft Investigation of Copper(I) in Linear Xcul' and (Lcul')+ (X = Cl, Ch3, Cn, Cf3, L = Co, Nh3, Ph3 and L' = C2h2, C2h4, C4h6, C6h6 and Nhc) Complexes: Electronic Structures and Nature Bonding from Energy Decomposition Analysis
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Density functional calculations of molecular bond energies
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Application of density functional theory to infrared absorption intensity calculations on main group molecules
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Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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The Equilibrium Molecular Structure of Cyclic (Alkyl)(Amino) Carbene Copper(I) Chloride via Gas-Phase Electron Diffraction and Quantum Chemical Calculations
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