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From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces
Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems
Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms
Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method.
Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems
Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms
Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method.