Sı́lvia Simon

How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?

Sı́lvia Simon, Miquel Duran, J. J. Dannenberg · The Journal of Chemical Physics · 1996 · 2.1K citations · Full text

Engineering, Hydrogen-bonded Dimers, Computational Chemistry +19

Electron-pairing analysis from localization and delocalization indices in the framework of the atoms-in-molecules theory

Xavier Fradera, Jordi Poater, Sı́lvia Simon et al. · Theoretical Chemistry Accounts · 2002 · 195 citations

Engineering, Physics, Natural Sciences +10

Effect of Basis Set Superposition Error on the Water Dimer Surface Calculated at Hartree−Fock, Møller−Plesset, and Density Functional Theory Levels

Sı́lvia Simon, Miquel Duran, J. J. Dannenberg · The Journal of Physical Chemistry A · 1999 · 132 citations

Interplay between Intramolecular Resonance-Assisted Hydrogen Bonding and Aromaticity in<i>o</i>-Hydroxyaryl Aldehydes

Marcin Palusiak, Sı́lvia Simon, Miquel Solà · The Journal of Organic Chemistry · 2006 · 115 citations

On the electron-pair nature of the hydrogen bond in the framework of the atoms in molecules theory

Jordi Poater, Xavier Fradera, Miquel Solà et al. · Chemical Physics Letters · 2003 · 78 citations

Engineering, Physics, Natural Sciences +9