Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
PROTON-TRANSFER IN SMALL MODEL SYSTEMS - A DENSITY-FUNCTIONAL STUDY
1995 Barone, Vincenzo; Orlandini, L; Adamo, C.
PROTON-TRANSFER IN THE GROUND AND EXCITED ELECTRONIC STATES OF [2,2'-BIPYRIDYL]-3,3'-DIOL - A SEMIEMPIRICAL STUDY
1995 Barone, Vincenzo; Milano, G; Orlandini, L.
Protonation of apolar species: from Cl2H+ to (E)-NCCHCHCNH+ through computational investigations
2023 Alessandrini, Silvia; Bizzocchi, Luca; Melosso, Mattia; Puzzarini, Cristina
Psoralens sensitize glutathione photooxidation in vitro
1989 D'Ischia, Marco; Napolitano, Alessandra; Prota, Giuseppe
Pulse ENDOR and density functional theory on the peridinin triplet state involved in the photo-protective mechanism in the peridinin-chorophyll a-protein from amphidinium carterae
2008 M., Di Valentin; S., Ceola; G., Agostini; G. M., Giacometti; A., Angerhofer; O., Crescenzi; Barone, Vincenzo; D., Carbonera
Pulse radiolysis detection and computational analysis of quinones from 5,6-dihydroxyindole dimers: implication for eumelanin build up
2006 Pezzella, A.; Panzella, L.; Napolitano, A.; Crescenzi, O.; Barone, V.; D'Ischia, M.; Land, E. J.
Pushing measurements and interpretation of VCD spectra in the IR, NIR and visible ranges to the detectability and computational complexity limits
2024 Fusè, Marco; Mazzeo, Giuseppe; Bloino, Julien; Longhi, Giovanna; Abbate, Sergio
Pyrroles and their derivatives: applications
2008 D'Ischia, M; Napolitano, A.; Pezzella, A
Pyrroles and their derivatives: structure
2008 D'Ischia, M.; Napolitano, A.; Pezzella, A
QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models
2023 Lafiosca, Piero; Nicoli, Luca; Bonatti, Luca; Giovannini, Tommaso; Corni, Stefano; Cappelli, Chiara
Quantitative analysis of deconvolved X-ray absorption near-edge structure spectra: a tool to push the limits of the X-ray absorption spectroscopy technique
2014 D'Angelo, Paola; Migliorati, Valentina; Persson, Ingmar; Mancini, Giordano; Della Longa, Stefano
Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balance
2017 Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Prampolini, Giacomo
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
1998 Barone, Vincenzo; M., Cossi
Quantum cascade laser spectroscopy: diagnostics to non-linear optics
2009 Duxbury, Geoffrey; Langford, Nigel; Hay, Kenneth; Tasinato, Nicola
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules
2015 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Puzzarini, Cristina
Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes
2019 Giovannini, T.; Ambrosetti, M.; Cappelli, C.
Quantum dynamics of H atom transmission across carbon nanotubes
2007 Skouteris, Dimitrios; Gervasi, Osvaldo; Laganà, Antonio
Quantum Dynamics of the ultrafast pp*/ np* population transfer in Uracil and 5Fluoro-Uracil in water and acetonitrile
2009 R., Improta; Barone, Vincenzo; A., Lami; F., Santoro
A quantum mechanical and quasi-classical trajectory study of the Cl+H-2 reaction and its isotopic variants: Dependence of the integral cross section on the collision energy and reagent rotation
2001 Aoiz, Fj; Banares, L; Castillo, Jf; Menendez, M; Skouteris, Dimitrios; Werner, Hj
Quantum mechanical computations and spectroscopy: From small rigid molecules in the gas phase to large flexible molecules in solution
2008 Barone, Vincenzo; R., Improta; N., Rega
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