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Optical properties from density-functional theory.,
, ACS Symp. Ser., Volume 628, Number Nonlinear Optical Materials, p.145–163, (1996)
Nuclear Magnetic Resonance Shielding Tensors Calculated with a Sum-over-States Density Functional Perturbation Theory.,
, J. Am. Chem. Soc., Volume 116, Number 13, p.5898–5908, (1994)
14,15N NMR Shielding Constants from Density Functional Theory.,
, J. Phys. Chem. A, Volume 107, Number 46, p.9924–9930, (2003)