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Risultati 1 - 20 di 162 (tempo di esecuzione: 0.056 secondi).
Titolo Data di pubblicazione Autore(i) File
A CI study of geometrical relaxation in the excited states of butadiene: energy surfaces and properties for simultaneous torsion and elongation of one double bond. 1-gen-1982 Bonacic Koutecký, V; Persico, Maurizio; Döhnert, D; Sevin, A.
A non-adiabatic representation of potential energy curves. Study of the HeNe2+ system. 1-gen-1985 Bacchus Montabonel M., C; Mercier, E; Cimiraglia, R; Persico, Maurizio
A simple solvent model for electron transfer reactions. 1-gen-1994 Cossi, M; Persico, Maurizio; Tomasi, Iacopo
A surface hopping study of energy transfer in Na+Cd* collisions 1-gen-1996 Angeli, C; Granucci, Giovanni; Persico, Maurizio
A Theoretical Study for the Valence-Rydberg Interaction in Diatomic Molecules. Application to the NO beta Band System 1-gen-2004 E., Bustos; Granucci, Giovanni; Persico, Maurizio; A. M., Velasco; I., Martin; C., Lavin
A theoretical study of spectroscopy and predissociation dynamics in nitrosoalkanes 1-gen-2001 Toniolo, A.; Persico, Maurizio
Ab initio determination of quasi-diabatic states for multiple reaction pathways. 1-gen-1997 Cattaneo, P; Persico, Maurizio
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent 1-gen-1992 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, Iacopo
ABINITIO EFFECTIVE PAIR POTENTIALS FOR SIMULATIONS OF THE LIQUID-STATE, BASED ON THE POLARIZABLE CONTINUUM MODEL OF THE SOLVENT 1-gen-1992 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, J.
About the origin of the chiroptical properties of the planar diene chromophore in cyclohexylidenepropene derivatives. 1-gen-1991 Clericuzio, M; Rosini, C; Persico, Maurizio; Salvadori, P.
Above Threshold Dissociation and wavepacket propagation. 1-gen-1999 Magnier, S; Persico, Maurizio; Rahman, N.
Absorption oscillator strengths for vibronic transitions of npp Rydberg series in NO 1-gen-2010 VELASCO A., M; Lavin, C; Bustos, E; Martin, I; Granucci, Giovanni; Persico, Maurizio
Algorithms for Sampling a Quantum Microcanonical Ensemble of Harmonic Oscillators at Potential Minima and Conical Intersections 1-gen-2011 Park, K; Engelkemier, J; Persico, Maurizio; Manikandan, P; Hase, W. L.
Alignment of molecules in pulsed resonant laser fields 1-gen-2004 Granucci, Giovanni; Persico, Maurizio; P., VAN LEUVEN
Alternative paths in the ring opening of oxadiaziridine: the diimide N-oxide versus the oxodiimide rearrangement. 1-gen-1978 Cimiraglia, R; Persico, Maurizio; Tomasi, Iacopo
An ab initio study of spectroscopy and predissociation of ClO. 1-gen-2000 Toniolo, A; Persico, Maurizio; Pitea, D.
An ab initio study of the lowest 1,3 Sigma+ states of BH. Quasi diabatic curves and vibronic couplings. 1-gen-1996 Persico, Maurizio; Cimiraglia, R; Spiegelmann, F.
An ab initio study of the photochemistry of azobenzene. 1-gen-1999 Cattaneo, P; Persico, Maurizio
An ab initio study of the photodissociation of nitrosoalkanes and nitrosamines. 1-gen-1985 Cimiraglia, R; Persico, Maurizio; Tomasi, Iacopo
An evaluation of solvent effects on isomerization mechanisms in diimide and methylenimine. 1-gen-1984 Persico, Maurizio; Tomasi, Iacopo