Sfoglia per Autore
Structural Properties of M(dmit)2 (M = Ni, Pd, Pt, dmit = 4,5-dimercapto-1,3-dithiol-2-thione) Based Molecular Metals. Insights from Density Functional Calculations
1996-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends
The remarkable Structural, Magnetic and Chemical Properties of the Newly Synthesized Manganese Ethylthioporphyrazines
1996-01-01 Ricciardi, Giampaolo; Bavoso, Alfonso; Rosa, Angela Maria; LELJ GAROLLA DI BARD, Francesco; A., Bencini
Basis Set Effects in Density Functional Calculations on the Metal−Ligand and Metal−Metal Bonds of Cr(CO)5−CO and (CO)5Mn−Mn(CO)5
1996-01-01 Rosa, Angela Maria; A. W., Ehlers; E. J., Baerends; J. G., Snijders; G., te Velde
Metal-to-Ligand Charge Transfer (MLCT) Photochemistry of fac-Mn(Cl)(CO)3(H-DAB): A Density Functional Study
1996-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends; D. J., Stufkens
Density Functional Study of the Photodissociation of Mn2(CO)10
1996-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends; D. J., Stufkens
Structural Properties of M(dmit)2 (M = Ni, Pd, Pt, dmit = 4,5-dimercapto-1,3-dithiol-2-thione) Based Molecular Metals. Insights from Density Functional Calculations
1997-01-01 Ricciardi, Giampaolo; Rosa, Angela Maria; E. J., Baerends
Cr−CO Photodissociation in Cr(CO)6: Reassessment of the Role of Ligand-Field Excited States in the Photochemical Dissociation of Metal−Ligand Bonds
1997-01-01 C., Pollak; Rosa, Angela Maria; E. J., Baerends
Cr–CO Photodissociation in Cr(CO)6: Reassessment of the Role of Ligand–Field Excited States in the Photochemical Dissociation of Metal–Ligand Bonds
1997-01-01 Rosa, Angela Maria; C., Pollak; E. J., Baerends
Density Functional Study of the Primary Photoprocesses of Manganese Pentacarbonyl Chloride (MnCl(CO)5)
1997-01-01 M. P., Wilms; E. J., Baerends; Rosa, Angela Maria; D. J., Stufkens
Structural Properties of M(dmit)2-Based (M = Ni, Pd, Pt; dmit2- = 2-Thioxo-1,3-dithiole-4,5-dithiolato) Molecular Metals. Insights from Density Functional Calculations
1998-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends
Metal–to-Ligand Charge Transfer Photochemistry: the Homolysis of the Mn-Cl Bond in fac- and mer-Mn(Cl)(CO)3(α-diimine) Complexes
1998-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends; D. J., Stufkens
Metal–CO Photodissociation in Transition–Metal Complexes: the Role of Ligand–Field and Charge–Transfer Excited States in the Photochemical Dissociation of Metal–Ligand Bonds
1998-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends
Metal–CO photodissociation in transition metal complexes:: The role of ligand-field and charge-transfer excited states in the photochemical dissociation of metal–ligand bonds
1998-01-01 E. J., Baerends; Rosa, Angela Maria
Metal-to-Ligand Charge Transfer Photochemistry: Homolysis of the Mn−Cl Bond in the mer-Mn(Cl)(CO)3(α-diimine) Complex and Its Absence in the fac-Isomer
1998-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends; D. J., Stufkens
Synthesis, Structure, and Physicochemical Properties of ((Ethylsulfanyl)porphyrazinato)cobalt(II). Metal-Ligand Bonds in Co(OESPz) and in Related Cobalt(II) Tetrapyrroles: Insigths from a Density Functional Study
1999-01-01 Ricciardi, Giampaolo; Rosa, Angela Maria; I., Ciofini; A., Bencini
The Role of Ligand-Field and Charge-Transfer Excited States in the Photochemical Dissociation of Metal–CO Bonds in Transition Metal Complexes
1999-01-01 Rosa, Angela Maria; E. J., Baerends; Ricciardi, Giampaolo
Structural Properties of M(dmit)2 (M = Ni, Pd, Pt, dmit = 4,5-dimercapto-1,3-dithiol-2-thione) Based Molecular Metals. Insights from Relativistic Density Functional Calculations
1999-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends
Metal-CO Photodissociation in Transition-MetalComplexes: the Role of Ligand-Field and Charge-Transfer Excited States in the PhotochemicalDissociation of Metal-Ligand Bonds
1999-01-01 Rosa, Angela Maria
A Density Functional Study of The Optical Spectra and Nonlinear Optical Properties of Heteroleptic Tetrapyrrole Sandwich Complexes: Zr(OEP)(OEPz) as a Case Study
1999-01-01 Ricciardi, Giampaolo; Rosa, Angela Maria; E. J., Baerends; S. J. A., VAN GISBERGEN
Time-dependent Density Functional Calculations on the Optical Spectra of Free Base Porphin and Metal-Porphyrins
1999-01-01 Rosa, Angela Maria; Ricciardi, Giampaolo; S. J. A., VAN GISBERGEN; E. J., Baerends
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