Emilia Sicilia

About the Mulliken electronegativity in DFT

Mihai V. Putz, Nino Russo, Emilia Sicilia · Theoretical Chemistry Accounts · 2005 · 123 citations

Mulliken Electronegativity, Quantum Chemistry, Weak Interaction

Density-Functional Approach to Hardness Evaluation and Its Use in the Study of the Maximum Hardness Principle

Tzonka Mineva, Emilia Sicilia, Nino Russo · Journal of the American Chemical Society · 1998 · 116 citations

Mathematical Programming, Engineering, Mechanical Engineering +21

Theoretical Study of Two-State Reactivity of Transition Metal Cations:  The “Difficult” Case of Iron Ion Interacting with Water, Ammonia, and Methane

Sandro Chiodo, María del Carmen Michelini, Nino Russo et al. · The Journal of Physical Chemistry A · 2004 · 114 citations

Inorganic Chemistry, Dehydrogenation Reaction, Theoretical Study +15

Structures and Electronic Absorption Spectra of a Recently Synthesised Class of Photodynamic Therapy Agents

Angelo Domenico Quartarolo, Nino Russo, Emilia Sicilia · Chemistry - A European Journal · 2006 · 103 citations

Engineering, Excitation Energy Transfer, Synthetic Photochemistry +19

Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method

Tzonka Mineva, Nino Russo, Emilia Sicilia · Journal of Computational Chemistry · 1998 · 100 citations

Engineering, Organic Chemistry, Computational Chemistry +22