GAGLIARDI, Laura

GAGLIARDI, Laura  

Dipartimento di Chimica Fisica (attivo dal 01/01/1900 al 31/12/2010)  

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Risultati 1 - 20 di 27 (tempo di esecuzione: 0.03 secondi).
Data di pubblicazione Titolo Autori Tipologia Autore(i) File
1-gen-2005 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 FERRANTE, FrancescoGAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista F FERRANTE; GAGLIARDI L; BE BURSTEN; AP SATTELBERGER
1-gen-2006 A Quantum Chemical Study of the Quintuple Bond between Two Chromium Centers in [PhCrCrPh]: trans-Bent versus Linear Geometry GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista M BRYNDA; GAGLIARDI L; P-O WIDMARK; PP POWER; BO ROOS
1-gen-2005 A theoretical study of the gas-phase chemiionization reaction between uranium and oxygen atoms GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista J PAULOVIC; GAGLIARDI L; JM DYKE; K HIRAO
1-gen-2004 A Theoretical Study of the Lowest Electronic States of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista GAGLIARDI L; G ORLANDI; F BERNARDI; A CEMBRAN; M GARAVELLI
1-gen-2004 A theoretical study of the lowest excited states of azobenzene: the role of torsional coordinate in the cis-trans photoisomerization GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista GAGLIARDI L; G ORLANDI; F BERNARDI; A CEMBRAN; M GARAVELLI
1-gen-2005 A very short uranium-uranium bond: The predicted metastable U22+ GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista GAGLIARDI L; P PYYKK; BO ROOS
1-gen-2004 An ab-initio and DFT study of the fragmentation and isomerisation of MeP(O)(OMe)+ FERRANTE, FrancescoGAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista AJ BELL; A CITRA; JM DYKE; F FERRANTE; GAGLIARDI L; P WATTS
1-gen-2006 arly Excited State Dynamics of 6-Styryl-Substituted Pyrylium Salts Exhibiting Dual Fluorescence GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista A PIGLIUCCI; P NIKOLOV; A REHAMAN; GAGLIARDI L; CJ CRAMER; E VAUTHEY
1-gen-2006 The characterization of molecular alkaly metal azides FERRANTE, FrancescoGAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista OGDEN JS; DYKE JM; LEVASON W; FERRANTE F; GAGLIARDI L
1-gen-2005 The electronic spectra of 2-(2'-hydroxybenzoyl)pyrrole and 2-(2'-methoxybenzoyl)pyrrole: A theoretical study CIOFALO, MaurizioGAGLIARDI, LauraLA MANNA, Gianfranco + 01 - Contributo in rivista::1.01 Articolo in rivista GHIGO, G; CIOFALO, M; GAGLIARDI, L; LA MANNA, G; CRAMER, CJ
1-gen-2006 Exploring the Actinide-Actinide Bond: Theoretical Studies of the Chemical Bond in Ac2, Th2, Pa2, and U2 GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista BO ROOS; GAGLIARDI L
1-gen-2004 How many hydrogens can be bound to a metal? Predicted MH12 species GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista GAGLIARDI L; P PYYKKO
1-gen-2005 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 GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista C R KINSINGER; B F GHERMAN; GAGLIARDI L; C J CRAMER
1-gen-2004 Local properties of quantum chemical systems: the LoProp approach GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista GAGLIARDI L; R LINDH; G KARLSTROM
1-gen-2005 Metal-polyhydride molecules are compact in a fullerene cage GAGLIARDI, Laura 01 - Contributo in rivista::1.01 Articolo in rivista GAGLIARDI L
1-gen-2004 On the mechanism of the cis-trans photoisomerization in the lowest electronic states of Azobenzene GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista A CEMBRAN; F BERNARDI; M GARAVELLI; GAGLIARDI L; G ORLANDI
1-gen-2006 On the nature of the metal-metal multiple bond GAGLIARDI, Laura + 02 - Contributo in volume::2.01 Capitolo o Saggio GAGLIARDI L; BO ROOS
1-gen-2006 Prediction of new inorganic molecules with quantum chemical methods GAGLIARDI, Laura 01 - Contributo in rivista::1.01 Articolo in rivista GAGLIARDI L
1-gen-2006 Quantum Chemical Calculations Predict the Diphenyl Diuranium Compound [PhUUPh] To Have a Stable 1Ag Ground State GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista G LA MACCHIA; M BRYNDA; GAGLIARDI L
1-gen-2005 Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond GAGLIARDI, Laura + 01 - Contributo in rivista::1.01 Articolo in rivista GAGLIARDI L; B O ROOS