GAGLIARDI, Laura
GAGLIARDI, Laura
Dipartimento di Chimica Fisica (attivo dal 01/01/1900 al 31/12/2010)
A Multiconfigurational Theoretical Study of the Octamethyldimetalates of Cr(II), Mo(II), and Re(III): Revisiting the Correlation Between M-M Bond Length and the delta-delta* Transition Energy
2005-01-01 F FERRANTE; GAGLIARDI L; BE BURSTEN; AP SATTELBERGER
A Quantum Chemical Study of the Quintuple Bond between Two Chromium Centers in [PhCrCrPh]: trans-Bent versus Linear Geometry
2006-01-01 M BRYNDA; GAGLIARDI L; P-O WIDMARK; PP POWER; BO ROOS
A theoretical study of the gas-phase chemiionization reaction between uranium and oxygen atoms
2005-01-01 J PAULOVIC; GAGLIARDI L; JM DYKE; K HIRAO
A Theoretical Study of the Lowest Electronic States of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization
2004-01-01 GAGLIARDI L; G ORLANDI; F BERNARDI; A CEMBRAN; M GARAVELLI
A theoretical study of the lowest excited states of azobenzene: the role of torsional coordinate in the cis-trans photoisomerization
2004-01-01 GAGLIARDI L; G ORLANDI; F BERNARDI; A CEMBRAN; M GARAVELLI
A very short uranium-uranium bond: The predicted metastable U22+
2005-01-01 GAGLIARDI L; P PYYKK; BO ROOS
An ab-initio and DFT study of the fragmentation and isomerisation of MeP(O)(OMe)+
2004-01-01 AJ BELL; A CITRA; JM DYKE; F FERRANTE; GAGLIARDI L; P WATTS
arly Excited State Dynamics of 6-Styryl-Substituted Pyrylium Salts Exhibiting Dual Fluorescence
2006-01-01 A PIGLIUCCI; P NIKOLOV; A REHAMAN; GAGLIARDI L; CJ CRAMER; E VAUTHEY
Computational studies of new metallic ions complexes of antioxidant dipeptides
2005-01-01 PRINZIVALLI C; ABBATE M; GAGLIARDI L; PELLERITO C; SCIACCA ID; SCOPELLITI M; PELLERITO L
Exploring the Actinide-Actinide Bond: Theoretical Studies of the Chemical Bond in Ac2, Th2, Pa2, and U2
2006-01-01 BO ROOS; GAGLIARDI L
How many hydrogens can be bound to a metal? Predicted MH12 species
2004-01-01 GAGLIARDI L; P PYYKKO
How useful are vibrational frequencies of isotopomeric O2 fragments for assessing local symmetry? Some simple systems and the vexing case of a galactose oxidase model
2005-01-01 C R KINSINGER; B F GHERMAN; GAGLIARDI L; C J CRAMER
Local properties of quantum chemical systems: the LoProp approach
2004-01-01 GAGLIARDI L; R LINDH; G KARLSTROM
Metal-polyhydride molecules are compact in a fullerene cage
2005-01-01 GAGLIARDI L
On the mechanism of the cis-trans photoisomerization in the lowest electronic states of Azobenzene
2004-01-01 A CEMBRAN; F BERNARDI; M GARAVELLI; GAGLIARDI L; G ORLANDI
On the nature of the metal-metal multiple bond
2006-01-01 GAGLIARDI L; BO ROOS
Prediction of new inorganic molecules with quantum chemical methods
2006-01-01 GAGLIARDI L
Quantum Chemical Calculations Predict the Diphenyl Diuranium Compound [PhUUPh] To Have a Stable 1Ag Ground State
2006-01-01 G LA MACCHIA; M BRYNDA; GAGLIARDI L
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond
2005-01-01 GAGLIARDI L; B O ROOS
Quantum Chemical Characterization of the Bonding of N-Heterocyclic Carbenes to Cp2MI Compounds [M = Ce(III), U(III)]
2006-01-01 GAGLIARDI L; CJ CRAMER