Rubén H. Contreras

C−H Bond-Shortening upon Hydrogen Bond Formation:  Influence of an Electric Field

Artëm E. Masunov, J. J. Dannenberg, Rubén H. Contreras · The Journal of Physical Chemistry A · 2001 · 210 citations

Natural Sciences, Chemistry, Physics +17

DFT Calculation of NMR <i>J</i>_FF Spin−Spin Coupling Constants in Fluorinated Pyridines

Verónica Barone, Juan E. Peralta, Rubén H. Contreras et al. · The Journal of Physical Chemistry A · 2002 · 153 citations

Natural Sciences, Chemistry, Physics +13

Topological and NBO analysis of hydrogen bonding interactions involving C–H⋯O bonds

Gladis L. Sosa, Nélida M. Peruchena, Rubén H. Contreras et al. · Journal of Molecular Structure THEOCHEM · 2002 · 115 citations

Natural Sciences, Chemistry, Crystal Structure +15

Substituent Effects on Scalar²J(¹⁹F,¹⁹F) and³J(¹⁹F,¹⁹F) NMR Couplings:  A Comparison of SOPPA and DFT Methods

Verónica Barone, Patricio F. Provasi, Juan E. Peralta et al. · The Journal of Physical Chemistry A · 2003 · 112 citations

Natural Sciences, Chemistry, Physics +12

Through-Bond and Through-Space <i>J</i>_FF Spin−Spin Coupling in Peridifluoronaphthalenes:  Accurate DFT Evaluation of the Four Contributions

Juan E. Peralta, Verónica Barone, Rubén H. Contreras et al. · Journal of the American Chemical Society · 2001 · 89 citations

Natural Sciences, Chemistry, Physics +7