Emilia Sicilia

Emilia Sicilia

Università della Calabria - / Italy
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1793750
University of Calabria
person_outline Emilia Sicilia's MOST POPULAR ARTICLES
1-) LANL2DZ basis sets recontracted in the framework of density functional theoryS Chiodo, N Russo, E SiciliaThe Journal of chemical physics 125 (10), 104107, 20061772006
2-) About the Mulliken electronegativity in DFTMV Putz, N Russo, E SiciliaTheoretical Chemistry Accounts 114, 38-45, 20051302005
3-) Theoretical study of two-state reactivity of transition metal cations: the “difficult” case of iron ion interacting with water, ammonia, and methaneS Chiodo, O Kondakova, MC Michelini, N Russo, E Sicilia, A Irigoras, ...The Journal of Physical Chemistry A 108 (6), 1069-1081, 20041302004
4-) Density-functional approach to hardness evaluation and its use in the study of the maximum hardness principleT Mineva, E Sicilia, N RussoJournal of the American Chemical Society 120 (35), 9053-9058, 19981301998
5-) Reaction of Sc+ (1D, 3D) with H2O, NH3, and CH4:  A Density Functional StudyN Russo, E SiciliaJournal of the American Chemical Society 123 (11), 2588-2596, 20011202001