Sfoglia per Autore
Diabatic states from ab initio calculations. A new method applied to the Na(2S,2P) + N2 system.
1985-01-01 Persico, Maurizio
A non-adiabatic representation of potential energy curves. Study of the HeNe2+ system.
1985-01-01 Bacchus Montabonel, M. C.; Mercier, E; Cimiraglia, R; Persico, Maurizio
Determination of the radial coupling between molecular states.
1985-01-01 Bacchus Montabonel, M. C.; Cimiraglia, R; Persico, Maurizio
On the quenching mechanism of Na* (3 2P3/2) by CO: surface hopping trajectory calculations with ab initio CI potential energy surfaces.
1985-01-01 Papierowska Kaminski, D; Persico, Maurizio; Bonacic Koutecký, V.
An ab initio study of the photodissociation of nitrosoalkanes and nitrosamines.
1985-01-01 Cimiraglia, R; Persico, Maurizio; Tomasi, Iacopo
Quasi diabatic states and dynamical couplings from ab initio CI calculations. A new proposal.
1985-01-01 Cimiraglia, ; Malrieu J., P; Persico, Maurizio; Spiegelmann, F.
Electronnaja korrelazija i otnositel'nye energeticeskie charakteristiki v neempiriceskich rascetach kompleksnych berillogidrirov legkich elementov
1986-01-01 R., Cimiraglia; Persico, Maurizio; Tomasi, Iacopo; O. P., Charkin
Recent advances in multi-reference second order perturbation CI: the CIPSI method revisited
1987-01-01 Cimiraglia, R; Persico, Maurizio
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group.
1987-01-01 Cimiraglia, R; Maynau, D; Persico, Maurizio
On the conformational structure of silabiphenyls.
1988-01-01 Hofmann H., J; Cimiraglia, R; Persico, Maurizio
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene.
1988-01-01 Cimiraglia, R; Maynau, D; Persico, Maurizio
Approssimazione di Born-Oppenheimer ed accoppiamenti vibronici.
1990-01-01 Persico, Maurizio
The photodissociation of dimethylnitrosamine studied by classical trajectories on ab initio potential energy surfaces.
1991-01-01 Persico, Maurizio; Cacelli, Ivo; Ferretti, A.
About the origin of the chiroptical properties of the planar diene chromophore in cyclohexylidenepropene derivatives.
1991-01-01 Clericuzio, M; Rosini, C; Persico, Maurizio; Salvadori, P.
Changes in electronically excited states and photochemistry of troponoids on complexation with acids.
1991-01-01 Cavazza, Marino; Cimiraglia, R; Persico, Maurizio; Pietra, F; Zandomeneghi, Maurizio
Charge transfer and curve crossings in the [Be H2O]2+ system
1991-01-01 Cossi, M; Persico, Maurizio
Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system
1992-01-01 Granucci, Giovanni; Persico, Maurizio
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent
1992-01-01 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, Iacopo
Coupled internal rotations in substituted ethoxybenzenes: maximum entropy analysis of nuclear magnetic resonance of nematic solution data and ab initio rotameric distributions
1992-01-01 DI BARI, Lorenzo; Persico, Maurizio; Veracini, CARLO ALBERTO
The problem of coupled internal rotations in substituted ethoxybenzenes: maximum entropy analysis of LX-NMR data and ab initio rotameric distributions.
1992-01-01 DI BARI, Lorenzo; Persico, Maurizio; Veracini, CARLO ALBERTO
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