Daniele Toffoli

Convergence of the multicenter B-spline DFT approach for the continuum

Daniele Toffoli, Mauro Stener, G. Fronzoni et al. · Chemical Physics · 2002 · 149 citations

Numerical Analysis, Spectral Theory, Engineering +6

Similarities and Differences between Cobalamins and Cobaloximes. Accurate Structural Determination of Methylcobalamin and of LiCl- and KCl-Containing Cyanocobalamins by Synchrotron Radiation

Lucio Randaccio, Michela Furlan, Silvano Geremia et al. · Inorganic Chemistry · 2000 · 136 citations

Crystal Structure, Engineering, Kcl-containing Cyanocobalamins +18

An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules

Manuel Sparta, Daniele Toffoli, Ove Christiansen · Theoretical Chemistry Accounts · 2009 · 87 citations

Engineering, Potential Energy Surfaces, Natural Sciences +11

New Formulation and Implementation of Vibrational Self-Consistent Field Theory

Mikkel Bo Hansen, Manuel Sparta, Peter Seidler et al. · Journal of Chemical Theory and Computation · 2009 · 83 citations · Full text

Numerical Analysis, Reduced Order Modeling, New Formulation +17

Insights into surface–adsorbate interactions in corrosion inhibition processes at the molecular level

Muzaffer Özcan, Daniele Toffoli, Hande Üstünel et al. · Corrosion Science · 2013 · 69 citations · Full text

Materials Science, Chemical Engineering, Engineering +10