화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 A quasilinear RISM approach for the computation of solvation free energy of ionic species
Chuev GN, Chiodo S, Erofeeva SE, Fedorov MV, Russo N, Sicilia E
Chemical Physics Letters, 418(4-6), 485, 2006
2 OsB2 and RuB2, ultra-incompressible, hard materials: First-principles electronic structure calculations
Chiodo S, Gotsis HJ, Russo N, Sicilia E
Chemical Physics Letters, 425(4-6), 311, 2006
3 Activation of methane by the iron dimer cation. A theoretical study
Chiodo S, Rivalta I, Michelini MD, Russo N, Sicilia E, Ugalde JM
Journal of Physical Chemistry A, 110(45), 12501, 2006
4 Theoretical study of two-state reactivity of transition metal cations: The "difficult" case of iron ion interacting with water, ammonia, and methane
Chiodo S, Kondakova O, Michelini MD, Russo N, Sicilia E, Irigoras A, Ugalde JM
Journal of Physical Chemistry A, 108(6), 1069, 2004
5 Reaction of bare VO+ and FeO+ with ammonia: A theoretical point of view
Chiodo S, Kondakova O, Michelini MD, Russo N, Sicilia E
Inorganic Chemistry, 42(26), 8773, 2003
6 Electronic and vibrational polarizabilities and hyperpolarizabilities of azoles: A comparative study of the structure-polarization relationship
Jug K, Chiodo S, Calaminici P, Avramopoulos A, Papadopoulos MG
Journal of Physical Chemistry A, 107(20), 4172, 2003