José Molina Molina

Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxide⋯X (X=F−, Cl−, Br−, Li+, Na+) complexes

Martha C. Daza, José A. Dobado, José Molina Molina et al. · The Journal of Chemical Physics · 1999 · 74 citations · Full text

Engineering, Potential-energy Surface, Hydrogen-bonding Properties +18

A tight-binding model for calculations of structures and properties of graphitic nanotubes

José Molina Molina, S. S. Savinsky · The Journal of Chemical Physics · 1996 · 70 citations

Tube Radius, Engineering, Mechanical Engineering +21

Ab initio molecular orbital study of the hydrogen peroxide-water complex (HOOH.cntdot..cntdot..cntdot.H2O)

José A. Dobado, José Molina Molina · The Journal of Physical Chemistry · 1994 · 46 citations

Inorganic Chemistry, Engineering, Chemical Analysis +14

Ab initio molecular orbital calculation of the hydrogen peroxide dimer: study of basis set superposition error

José A. Dobado, José Molina Molina · The Journal of Physical Chemistry · 1993 · 26 citations

Molecular Sciences, Engineering, Chemical Analysis +15

Theoretical calculations on C30H12 bowl-shaped hydrocarbons: NMR shielding constants, stability, and aromaticity

Santiago Melchor Ferrer, José Molina Molina · Journal of Computational Chemistry · 1999 · 24 citations · Full text

Engineering, Organic Chemistry, Computational Chemistry +16