Fiona Sim

Gaussian density functional calculations on hydrogen-bonded systems

Fiona Sim, Alain St.‐Amant, Imre Pápai et al. · Journal of the American Chemical Society · 1992 · 476 citations

Natural Sciences, Chemistry, Physics +12

Electron correlation effects in hyperpolarizabilities of p-nitroaniline

Fiona Sim, Michel Dupuis, Julia E. Rice · The Journal of Physical Chemistry · 1993 · 248 citations

Natural Sciences, Chemistry, Physics +9

Gaussian density functional calculations on the allyl and polyene radicals: C3H5 to C11H13

Fiona Sim, Dennis R. Salahub, Michel Dupuis · The Journal of Chemical Physics · 1991 · 103 citations

Natural Sciences, Chemistry, Physics +17

The accurate calculation of dipole moments and dipole polarizabilities using Gaussian‐based density functional methods

Fiona Sim, Dennis R. Salahub · International Journal of Quantum Chemistry · 1992 · 62 citations

Natural Sciences, Chemistry, Physics +17

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> self-consistent-field molecular orbital calculations on defects associated with radiation damage in alpha quartz

Fiona Sim, C. Richard A. Catlow, Michel Dupuis et al. · The Journal of Chemical Physics · 1991 · 37 citations

Natural Sciences, Materials Science, Physics +17