Kathleen A. Robins

Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems

Benoı̂t Champagne, Éric A. Perpète, Denis Jacquemin et al. · The Journal of Physical Chemistry A · 2000 · 520 citations

Engineering, Dipole Moment, Computational Chemistry +17

Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An <i>ab initio</i> investigation of polyacetylene chains

Benoı̂t Champagne, Éric A. Perpète, S. J. A. van Gisbergen et al. · The Journal of Chemical Physics · 1998 · 476 citations · Full text

Engineering, Computational Chemistry, Chemistry +16

<i>Ab initio</i> finite oligomer method for nonlinear optical properties of conjugated polymers. Hartree–Fock static longitudinal hyperpolarizability of polyacetylene

Bernard Kirtman, Joseph L. Toto, Kathleen A. Robins et al. · The Journal of Chemical Physics · 1995 · 106 citations

Optical Materials, Engineering, Nonlinear Optics +21

Hartree–Fock static longitudinal (hyper)polarizability of polyyne

Joseph L. Toto, Teressa Tangredi Toto, Celso P. de Melo et al. · The Journal of Chemical Physics · 1996 · 63 citations

Engineering, Hartree–fock Static Longitudinal, Chemistry +20

Substituent Effect on the Electronic Properties and Morphologies of Self‐Assembling Bisphenazine Derivatives

Kelly K. McGrath, Kyoungmi Jang, Kathleen A. Robins et al. · Chemistry - A European Journal · 2009 · 59 citations

Peripheral Substituents, Engineering, Organic Electronics +16