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Titolo Data di pubblicazione Autore(i) File
Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system 1-gen-1992 Granucci, Giovanni; Persico, Maurizio
Benzene-O2 interaction potential from ab initio calculations 1-gen-1993 Granucci, Giovanni; Persico, Maurizio
Electronic structure of compounds with Fe-C bonds 1-gen-1993 Granucci, Giovanni; Persico, Maurizio
The energetics of fragmentation of the naphthalene cation 1-gen-1995 Granucci, Giovanni; Y., Ellinger; P., Boissel
Coherent excitation of wavepackets in two electronic states. Interference effects at an avoided crossing. 1-gen-1995 Granucci, Giovanni; Persico, Maurizio
A surface hopping study of energy transfer in Na+Cd* collisions 1-gen-1996 Angeli, C; Granucci, Giovanni; Persico, Maurizio
Quantum mechanical and semiclassical dynamics at a conical intersection 1-gen-1996 A., Ferretti; Granucci, Giovanni; A., Lami; Persico, Maurizio; G., Villani
Nonadiabatic transitions and interference in photodissociation dynamics 1-gen-1997 D., Romstad; Granucci, Giovanni; Persico, Maurizio
Theoretical study of Na(4p2P)+Na(3s2S) and Cd(5p3P0)+Na(3s2S) collisions and their role in the energy transfer between Cd* and Na 1-gen-1997 S., Magnier; C., Angeli; Granucci, Giovanni; F., MASNOU SEEUWS; Allegrini, Maria; Persico, Maurizio
A chemical application of the algebraic concept of internal space 1-gen-1998 Granucci, Giovanni; P., CASSAM CHENAI; Y., Ellinger
Simulations of condensed phase photochemistry: cage effect and internal conversion in azoalkanes and nitrosamines. 1-gen-1999 Cattaneo, P; Granucci, Giovanni; Persico, Maurizio
A new method for deriving atomic charges and dipoles for n-alkanes: investigation of transferability and geometry-dependence 1-gen-1999 J., Delhommelle; Granucci, Giovanni; V., Brenner; P., Millie; A., Boutin; A. H., Fuchs
Atomic charges for molecular dynamics calculations 1-gen-2000 J. P., Dognon; S., Durand; Granucci, Giovanni; B., Levy; P., Millie; C., Rabbe
Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals 1-gen-2000 Granucci, Giovanni; A., Toniolo
A theoretical investigation of excited state acidity of phenol and cyanophenols 1-gen-2000 Granucci, Giovanni; J. T., Hynes; P., Millie; T. H., TRAN THI
Quantum and semiclassical dynamics of the Franck-Condon wave packet on the coupled potential surfaces of the X2A'/A2A' conical intersection 1-gen-2000 F., Santoro; C., Petrongolo; Granucci, Giovanni; Persico, Maurizio
Derivation of an optimized potential model for phase equilibria (OPPE) for sulfides and thiols 1-gen-2000 J., Delhommelle; C., Tschirwitz; P., Ungerer; Granucci, Giovanni; P., Millie; D., Pattou; A. H., Fuchs
Direct semiclassical simulation of photochemical processes with semiempirical wavefunctions 1-gen-2001 Granucci, Giovanni; Persico, Maurizio; Toniolo, A.
Theoretical study of the photodissociation dynamics of ClOOCl 1-gen-2001 A., Toniolo; Granucci, Giovanni; S., Inglese; Persico, Maurizio
Theoretical study of the photochemistry of Cl2O 1-gen-2001 C., Collaveri; Granucci, Giovanni; Persico, Maurizio; A., Toniolo
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