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Sosa RM, Gardiol P, Beltrame G. (1998) Theoretical study of transition-element carbonyls MCO and carbenes MCH2 (M = Ti, Fe, Ni) in the ground and first electronic excited states by DFT methods International Journal of Quantum Chemistry. 69: 371-386 |
Sosa RM, Gardiol P. (1997) Electronic structure and properties of transition metal complexes MCH2 and M5 CH2 (M = Fe, Ni, Cu;) by density functional methods Journal of Molecular Structure: Theochem. 394: 249-258 |
Sosa RM, Gardiol P, Beltrame G. (1997) A theoretical study of the electronic structure of transition‐element carbides MnC (M=Fe, Ni, Cu, n=1, 5; and M=Ti, n=1, 7) and their interactions with an O atom by DFT methods International Journal of Quantum Chemistry. 65: 919-928 |
Sosa RM, Gardiol P. (1997) Electronic structure and properties of the carbonyls TiCO and Ti7CO and carbenes TiCH2 and Ti7CH2 by density functional methods International Journal of Quantum Chemistry. 65: 65-73 |
Sosa RM, Gardiol P. (1996) Electronic structure and properties of MCO and M5CO carbonyls (M = Fe,Ni,Cu) by density functional methods International Journal of Quantum Chemistry. 60: 1429-1441 |
Ferreira E, Gardiol P, Sosa RM, et al. (1995) Ab initio MP2, MCSCF and MR-SDCI study on the structure of O4 and comparison with the hypervalent CO3 and SO3 species Journal of Molecular Structure: Theochem. 335: 63-68 |
Sosa RM, Gardiol P, Ventura ON. (1993) Multireference configuration interaction calculation of the potential energy curves for OH bond breaking in the ground and lowest excited states of the water monomer and dimer Journal of Molecular Structure. 297: 337-345 |
Sosa RM, Irving K, Ventura ON. (1992) Ab initio characterization of possible dissociation pathways for multiphoton ionization of the water dimer in supersonic free jets Journal of Molecular Structure: Theochem. 254: 453-463 |
Ventura ON, Bartolucci JP, Sosa RM. (1985) He2+2: A comparison between Hartree-Fock and density functional techniques International Journal of Quantum Chemistry. 27: 625-635 |
Sosa RM, Ventura ON, Liberles A. (1980) A quatum-mechanical study of metheyl fluoroformate Chemical Physics Letters. 70: 170-174 |