Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Prediction of Molecular Properties for Systems of Biological Interests
2007 Barone, Vincenzo; Biczysko, M.; Bloino, J.; Pavone, M.
Prediction of pKa Using ab-initio Continuum Solvation Quantum Chemistry. I.Application of PCM-UATM for Carboxylic Acids
1998 G., Schuurman; M., Cossi; Barone, Vincenzo; J., Tomasi
Prediction of solvent effects on vibrational intensities and Raman activities in solution with the Polarizable Continuum Model: a study of push-pull molecules
2003 Corni, S.; Cappelli, Chiara; DEL ZOPPO, M.; Tomasi, J.
Prediction of thermodynamic instabilities of protein solutions from simple protein-protein interactions
2013 D'Agostino, Tommaso; Solana, José Ramón; Emanuele, Antonio
PREFERRED CONFORMATION OF PEPTIDES FROM C-ALPHA,ALPHA-SYMMETRICALLY DISUBSTITUTED GLYCINES - AROMATIC RESIDUES
1991 Crisma, M; Valle, G; Bonora, Gm; Toniolo, C; Lelj, F; Barone, Vincenzo; Fraternali, F; Hardy, Pm; Maia, Hls
Preparation and oxidation chemistry of the catechol estrogens:relevance to estrogen-related carcinogenesis and potential for drug design
2006 Pezzella, Alessandro; L., Lista; Napolitano, Alessandra; D'Ischia, Marco
Preparation of composites through in-situ catalytic homo-and co-polymerization of olefins in the presence of Ground Tire Rubber
2007 Sulcis, Roberta
Preparazione dei nitroderivati degli acidi grassi poliinsaturi
2006 P., Manini; Napolitano, A.; D'Ischia, M.
A priori modeling of chemical reactions on a grid based virtual laboratory
2010 Rampino, Sergio; Monari, Antonio; Evangelisti, Stefano; Rossi, Elda; Ruud, Kenneth; Laganà, Antonio
A priori modeling of chemical reactions on computational grid platforms: Workflows and data models
2012 Rampino, Sergio; Monari, Antonio; Rossi, Elda; Evangelisti, Stefano; Laganà, Antonio
Probing BH mass and accretion through X-ray variabiliy in the CDFS
2010 Allevato, V.; Pinto, C.; Paolillo, M.; Papadakis, I.; Ranalli, P.; Comastri, A.; Iwasawa, K.
Probing Liquid-Ordered and Disordered Phases in Lipid Model Membranes: A Combined Theoretical and Spectroscopic Study of a Fluorescent Molecular Rotor
2022 Del Frate, G.; Macchiagodena, M.; Akhunzada, M. J.; D'Autilia, F.; Catte, A.; Bhattacharjee, N.; Barone, V.; Cardarelli, F.; Brancato, G.
Probing the Eumelanin-Silica Interface in Chemically Engineered Bulk Hybrid Nanoparticles for Targeted Subcellular Antioxidant Protection
2017 Silvestri, Brigida; Vitiello, Giuseppe; Luciani, Giuseppina; Calcagno, Vincenzo; Costantini, Aniello; Gallo, Maria; Parisi, Silvia; Paladino, Simona; Iacomino, Mariagrazia; D'Errico, Gerardino; Caso, M. Federica; Pezzella, Alessandro; D'Ischia, Marco
Probing the existence of phase transitions in one-dimensional fluids of penetrable particles
2015 Prestipino, Santi; Gazzillo, Domenico; Tasinato, Nicola
Probing the H-Bond network of nitroxide free radicals in different solvent environment
2005 M., Pavone; P., Cimino; A., Sillanpaa; Barone, Vincenzo
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption
2017 Wolf, T. J. A.; Myhre, R. H.; Cryan, J. P.; Coriani, S.; Squibb, R. J.; Battistoni, A.; Berrah, N.; Bostedt, C.; Bucksbaum, P.; Coslovich, G.; Feifel, R.; Gaffney, K. J.; Grilj, J.; Martinez, T. J.; Miyabe, S.; Moeller, S. P.; Mucke, M.; Natan, A.; Obaid, R.; Osipov, T.; Plekan, O.; Wang, S.; Koch, H.; Gühr, M.
A program for performing exact quantum dynamics calculations using cylindrical polar coordinates : a nanotube application
2009 Skouteris, Dimitrios; Gervasi, Osvaldo; Laganà, Antonio
Propagator calculations of electronic spectra of photochromic spirooxazines
2000 Shigemitsu, Y; Jensen, Hjaa; Koch, H; Oddershede, J
Properties and Spectroscopies
2007 Sadlej, Joanna; PECUL-KUDELSKA, Magdalena; Barone, Vincenzo; Cimino, Paola; Pavone, Michele; Cappelli, Chiara; Stephens, Philip J.; Devlin, Frank J.; Ruud, Kenneth; Hug, Werner; Cammi, Roberto; Mennucci, Benedetta; Rizzo, Antonio; Ferrarini, Alberta; Ågren, Hans; Mikkelsen, Kurt V.; Corni, Stefano; Frediani, Luca
Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models
2009 Cammi, R; Cappelli, Chiara; Mennucci, B.; Tomasi, J.
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