Sfoglia per Titolo
Solvent Effect on the Singlet Excited-state Dynamics of 5-Fluorouracil in Acetonitrile as Compared with Water
2006 T., Gustavsson; N., Sarkar; E., Lazzarotto; D., Markovitsi; Barone, Vincenzo; R., Improta
Solvent Effect on the Singlet Excited-State Lifetimes of Nucleic Acid Bases: A Computational Study of 5-Fluorouracil and Uracil in Acetonitrile and Water
2006 F., Santoro; Barone, Vincenzo; T., Gustavsson; R., Improta
Solvent effect on vertical electronic transitions by the polarizable continuum model
2000 Cossi, M.; Barone, Vincenzo
Solvent effects by effective hamiltonian model
2000 Cossi, M.; Barone, Vincenzo
Solvent effects on molecular interactions: new hints from an integrated density functional/polarizable continuum model
2005 P., Cimino; Barone, Vincenzo
Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles
2017 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof
Solvent effects on Raman Optical Activity spectra calculated using the Polarizable Continuum Model
2006 M., Pecul; E., Lamparska; Cappelli, Chiara; L., Frediani; K., Ruud
Solvent effects on the conformational behavior of model peptides. A comparison between different continuum models
1996 Adamo, C; Dillet, V; Barone, Vincenzo
Solvent effects on the profile of an SN2 reaction
1998 M., Cossi; C., Adamo; Barone, Vincenzo
Solvent effects on the UV (n?p*) and NMR (17O) spectra of acetone in aqueous solution. Development and validation of a modified AMBER force field for an integrated MD/DFT/PCM approach
2006 M., Pavone; O., Crescenzi; G., Morelli; N., Rega; Barone, Vincenzo
Solvent effects on the UV(n->p*) and NMR (13C and 17O) spectra of acetone in aqueous solution. An integrated Car Parrinello and DFT/PCM approach
2005 O., Crescenzi; M., Pavone; F., De Angelis; Barone, Vincenzo
Solvent Effects on the Valence UV-VIS Absorption Spectra of Topotecan Anticancer Drug in Aqueous Solution at Room Temperature: A Nanoseconds Time-Scale TD-DFT/MD Computational Study
2010 Zazza, C; Coletta, A; Sanna, N; Chillemi, G; Mancini, Giordano; Desideri, A.
Solvent effects on trans/gauche conformational equilibria of substituted Chloroethanes: a Polarizable Continuum Model study
2001 Cappelli, Chiara; S., Corni; J., Tomasi
Solvent effects on vibrational modes: ab initio calculation, scaling and solvent functions with applications to the carbonyl stretch of dialkyl ketones
2001 Cappelli, Chiara; DA SILVA, C. O.; Tomasi, J.
Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: a combined computational and experimental study of 2,2,5,5-tetramethyl-3-carboxypyrrolidine and 2,2,6,6-tetramethyl-4-carboxypiperidine nitroxides
2002 Saracino, G. A. A.; Tedeschi, A.; D'Errico, G.; Improta, R.; Franco, L.; Ruzzi, M.; Corvaia, C.; Barone, Vincenzo
Solving cubic matrix equations arising in conservative dynamics
2023 Benzi, M.; Viviani, M.
Solving Linear Systems of the Form \({\boldsymbol{(A + \gamma UU^T)\, {x} = {b}}}\) by Preconditioned Iterative Methods
2024 Benzi, Michele; Faccio, Chiara
Solving the Tautomeric Equilibrium of Purine through Analysis of the Complex Hyperfine Structure of the Four 14N Nuclei
2016 Favero, Laura B.; Uriarte, Iciar; Spada, Lorenzo; Écija, Patricia; Calabrese, Camilla; Caminati, Walther; Cocinero, Emilio J.
Solving the U(1) problem of QCD: new computational strategies and results
2017 Ce', Marco
SOM-based behavioral analysis for virtualized network functions
2020 Lanciano, Giacomo; Ritacco, Antonio; Cucinotta, Tommaso; Vannucci, Marco; Artale, Antonino; Basili, Luca; Sposato, Enrica; Barata, Joao
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