GRANUCCI, GIOVANNI Statistiche
GRANUCCI, GIOVANNI
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
A chemical application of the algebraic concept of internal space
1998-01-01 Granucci, Giovanni; P., CASSAM CHENAI; Y., Ellinger
A new method for deriving atomic charges and dipoles for n-alkanes: investigation of transferability and geometry-dependence
1999-01-01 J., Delhommelle; Granucci, Giovanni; V., Brenner; P., Millie; A., Boutin; A. H., Fuchs
A surface hopping study of energy transfer in Na+Cd* collisions
1996-01-01 Angeli, C; Granucci, Giovanni; Persico, Maurizio
A theoretical investigation of excited state acidity of phenol and cyanophenols
2000-01-01 Granucci, Giovanni; J. T., Hynes; P., Millie; T. H., TRAN THI
A Theoretical Study for the Valence-Rydberg Interaction in Diatomic Molecules. Application to the NO beta Band System
2004-01-01 E., Bustos; Granucci, Giovanni; Persico, Maurizio; A. M., Velasco; I., Martin; C., Lavin
Absorption oscillator strengths for vibronic transitions of npp Rydberg series in NO
2010-01-01 VELASCO A., M; Lavin, C; Bustos, E; Martin, I; Granucci, Giovanni; Persico, Maurizio
Alignment of molecules in pulsed resonant laser fields
2004-01-01 Granucci, Giovanni; Persico, Maurizio; P., VAN LEUVEN
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces
2014-01-01 Persico, Maurizio; Granucci, Giovanni
Are azobenzenophanes rotation-restricted?
2005-01-01 C., Ciminelli; Granucci, Giovanni; Persico, Maurizio
Atomic charges for molecular dynamics calculations
2000-01-01 J. P., Dognon; S., Durand; Granucci, Giovanni; B., Levy; P., Millie; C., Rabbe
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study
2018-01-01 Mondal, Padmabati; Granucci, Giovanni; Rastädter, Dominique; Persico, Maurizio; Burghardt, Irene
Benzene-O2 interaction potential from ab initio calculations
1993-01-01 Granucci, Giovanni; Persico, Maurizio
Can Azobenzene Photoisomerize When Chemisorbed on a Gold Surface? An Analysis of Steric Effects Based on Nonadiabatic Dynamics Simulations
2015-01-01 Benassi, Enrico; Granucci, Giovanni; Persico, Maurizio; Corni, Stefano
Coherent excitation of wavepackets in two electronic states. Interference effects at an avoided crossing.
1995-01-01 Granucci, Giovanni; Persico, Maurizio
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine
2014-01-01 Martinez Fernandez, L.; Corral, I.; Granucci, Giovanni; Persico, Maurizio
Computational design of singlet fission biradicaloid chromophores
2022-01-01 Accomasso, Davide; Persico, Maurizio; Granucci, Giovanni
Computational study of the excited states of bilirubin IX
2005-01-01 Granucci, Giovanni; Mazzoni, M.; Persico, Maurizio; Toniolo, A.
Conical intersections in solution: a QM/MM study using floating occupation semiempirical configuration interaction wave functions
2003-01-01 A., Toniolo; Granucci, Giovanni; T. J., Martinez
Critical appraisal of the fewest switches algorithm for surface hopping
2007-01-01 Granucci, Giovanni; Persico, Maurizio
Decoding the molecular basis for the population mechanism of the triplet phototoxic precursors in UVA light-activated pyrimidine anticancer drugs
2017-01-01 Martínez Fernández, Lara; Granucci, Giovanni; Pollum, Marvin; Crespo Hernández, Carlos; Persico, Maurizio; Corral Perez, Ines