Authors:
Casida, ME
Gutierrez, F
Guan, JG
Gadea, FX
Salahub, D
Daudey, JP
Citation: Me. Casida et al., Charge-transfer correction for improved time-dependent local density approximation excited-state potential energy curves: Analysis within the two-level model with illustration for H-2 and LiH, J CHEM PHYS, 113(17), 2000, pp. 7062-7071
Authors:
Iftimie, R
Salahub, D
Wei, DQ
Schofield, J
Citation: R. Iftimie et al., Using a classical potential as an efficient importance function for sampling from an ab initio potential, J CHEM PHYS, 113(12), 2000, pp. 4852-4862
Authors:
Vedernikova, I
Proynov, E
Salahub, D
Haemers, A
Citation: I. Vedernikova et al., Local atomic and orbital reactivity indices from density functional calculations for hydrogen-bonded 1,2-dihydroxybenzene, INT J QUANT, 77(1), 2000, pp. 161-173
Authors:
Haslett, TL
Fedrigo, S
Bosnick, K
Moskovits, M
Duarte, HA
Salahub, D
Citation: Tl. Haslett et al., Binary iron-dinitrogen compounds synthesized by co-deposition of mass-selected Fe, Fe-2, and Fe-3 with N-2, J AM CHEM S, 122(25), 2000, pp. 6039-6044