Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Hydrogen and higher shell contributions in Zn2+, Ni2+, and Co2+ aqueous solution: an X-ray absorption fine structure and molecular dynamics study
2002 P., D’Angelo; Barone, Vincenzo; G., Chillemi; N., Sanna; W., Meyer Klaucke; N. V., Pavel
Hydrogen bond effects on the structure and magnetic properties of nitroxide free radicals
2005 P., Cimino; Barone, Vincenzo
Hydrogen-bonding between the hydrogen peroxide molecule and the hydroperoxy radical (H2O2-HO2): the global minimum
2004 M. E., Alikhani; Barone, Vincenzo
Hyperfine coupling constants of dimethyl nitroxide in aqueous solution: Car-Parrinello molecular dynamics and discrete-continuum approaches
2004 M., Pavone; C., Benzi; F., DE ANGELIS; Barone, Vincenzo
Hyperfine resolved rate coefficients of HC17O+ with H2 (j = 0)
2022 Tonolo, Francesca; Lique, F.; Melosso, Mattia; Puzzarini, Cristina; Bizzocchi, Luca
Identification by Time-resolved EPR and Pulsed ENDOR of Chlorophyll Carotenoid Pairs involved in Triplet-Triplet Transfet in photosynthetic Antenna Proteins
2007 M., Di Valentin; S., Ceola; E., Salvadori; G., Agostini; O., Crescenzi; Barone, Vincenzo; G. M., Giacometti; D., Carbonera
Identification of a short region on chromosome 6 affecting direct calving ease in Piedmontese cattle breed
2012 Bongiorni, Silvia; Mancini, Giordano; Chillemi, Giovanni; Pariset, Lorraine; Valentini, Alessio
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
2016 Salvadori, Andrea; DEL FRATE, Gianluca; Marco, Pagliai; Barone, Vincenzo; Mancini, Giordano
Impact of temporal resolution in single particle tracking analysis
In corso di stampa SCHIRRIPA SPAGNOLO, Chiara; Luin, Stefano
Implementation and validation of a multi-purpose virtual spectrophotometer for large systems in complex environments
2012 Barone, Vincenzo; Baiardi, A.; Biczysko, M.; Bloino, J.; Cappelli, Chiara; Lipparini, F.
Implementation and validation of DFT-D for molecular vibrations and dynamics: The benzene dimer as a case study
2008 M., Pavone; N., Rega; Barone, Vincenzo
Implementation and validation of the Lacks-Gordon exchange functional in conventional density functional and adiabatic connection methods
1998 C., Adamo; Barone, Vincenzo
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool
2015 Licari, Daniele; Baiardi, Alberto; Biczysko, MALGORZATA AGNIESZKA; Egidi, Franco; Latouche, Camille; Barone, Vincenzo
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections
2002 Hald, Kasper; Jørgensen, Poul; Christiansen, Ove; Koch, Henrik
Implementation of the ABC quantum mechanical reactive scattering program on the EGEE grid platform
2008 Skouteris, Dimitrios; A., Costantini; A., Lagana'; G., Sipos; A., Balasko; P., Kacsuk
An improved AMBER force field for α,α-dialkylated peptides: intrinsic and solvent-induced conformational preferences of model systems
2013 Sonja, Grubišić; Brancato, Giuseppe; Barone, Vincenzo
An improved study of HCO+ and He system: Interaction potential, collisional relaxation, and pressure broadening
2021 Tonolo, Francesca; Bizzocchi, Luca; Melosso, Mattia; Lique, F.; Dore, L.; Barone, Vincenzo; Puzzarini, Cristina
Improving performance of polarizable continuum model for study of large molecules in solution
1999 Rega, N.; Cossi, M.; Barone, Vincenzo
Improving the performances of the LIBS technique for the analysis of solid and liquid samples using noble metal nanoparticles
2022 Poggialini, Francesco
In search of phosphorus in astronomical environments : the reaction between the CP radical and methanimine
2021 Alessandrini, Silvia; Tonolo, Francesca; Puzzarini, Cristina
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