Authors:
Champagne, B
Perpete, EA
Jacquemin, D
van Gisbergen, SJA
Baerends, EJ
Soubra-Ghaoui, C
Robins, KA
Kirtman, B
Citation: B. Champagne et al., Assessment of conventional density functional schemes for computing the dipole moment and (hyper)polarizabilities of push-pull pi-conjugated systems, J PHYS CH A, 104(20), 2000, pp. 4755-4763
Authors:
McKinstry, L
Overberg, JJ
Soubra-Ghaoui, C
Walsh, DS
Robins, KA
Toto, TT
Toto, JL
Citation: L. Mckinstry et al., Acid mediated phosphine-borane decomplexation: A model for characterizing short-lived intermediates with experimental and ab initio NMR data, J ORG CHEM, 65(7), 2000, pp. 2261-2263
Authors:
Champagne, B
Perpete, EA
van Gisbergen, SJA
Baerends, EJ
Snijders, JG
Soubra-Ghaoui, C
Robins, KA
Kirtman, B
Citation: B. Champagne et al., Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains (vol 109, pg 10489, 1998), J CHEM PHYS, 110(23), 1999, pp. 11664-11664
Authors:
Champagne, B
Perpete, EA
van Gisbergen, SJA
Baerends, EJ
Snijders, JG
Soubra-Ghaoui, C
Robins, KA
Kirtman, B
Citation: B. Champagne et al., Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains, J CHEM PHYS, 109(23), 1998, pp. 10489-10498