Département de chimie moléculaire

Optical properties from density-functional theory., Casida, Mark E., Jamorski Christine, Bohr Frederic, Guan Jingang, and Salahub Dennis R. , 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., Malkin, Vladimir G., Malkina Olga L., Casida Mark E., and Salahub Dennis R. , J. Am. Chem. Soc., Volume 116, Number 13, p.5898–5908, (1994)

14,15N NMR Shielding Constants from Density Functional Theory., Fadda, Elisa, Casida Mark E., and Salahub Dennis R. , J. Phys. Chem. A, Volume 107, Number 46, p.9924–9930, (2003)