Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Aromatic ring bromination in 1,4-benzothiazines, 1,4-benzoxathianes and 1,4-benzodithianes: The occurrence of vicarious nucleophilic substitution of hydrogen and electrophilic aromatic substitution mechanisms
1996 Caputo, R; Denisco, M; Palumbo, G; Adamo, C; Barone, Vincenzo
Artificial Biomelanin: Highly Light-Absorbing Nano-Sized Eumelanin by Biomimetic Synthesis in Chicken Egg White
2014 della Vecchia Nicola, Fyodor; Cerruti, Pierfrancesco; Gentile, Gennaro; Errico Maria, Emanuela; Ambrogi, Veronica; D'Errico, Gerardino; Longobardi, Sara; Napolitano, Alessandra; Paduano, Luigi; Carfagna, Cosimo; D'Ischia, Marco
Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKa calculations and molecular dynamics simulations
2006 E., Langella; R., Improta; O., Crescenzi; Barone, Vincenzo
Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts
2022 Nicoli, Luca; Giovannini, Tommaso; Cappelli, Chiara
Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions
2004 R., Improta; Barone, Vincenzo
Assessment of a combined QM/MM approach for the study of large nitroxide systems in vacuo and in condensed phases
1998 Barone, Vincenzo; Bencini, A.; Cossi, M.; DI MATTEO, A.; Mattesini, M.
Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case
2008 C., Puzzarini; Barone, Vincenzo
Assessment of density functionals for van der Waals complexes of sodium and benzene
2013 Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik
Assessment of Electron Propagator Methods for the Simulation of Vibrationally Resolved Valence and Core Photoionization Spectra
2017 Baiardi, A.; Paoloni, L.; Barone, V.; Zakrzewski, V. G.; Ortiz, J. V.
Assessment of models and methodologies for the study of the effects of nuclear motions in molecular spectroscopies
2020 Paoloni, Lorenzo
Assessment of Multi-Scale Approaches for Computing UV-Vis Spectra in Condensed Phases: Toward an Effective yet Reliable Integration of Variational and Perturbative QM/MM Approaches
2019 Del Galdo, S.; Chandramouli, B.; Mancini, G.; Barone, V.
Association between single nucleotide polymorphisms (SNPs) and milk production traits in Italian Brown cattle
2013 Mancini, Giordano; Nicolazzi, E. L.; Valentini, A.; Chillemi, G.; Ajmone Marsan, P.; Santus, E.; Pariset, L.
Astrochemistry and Astrobiology: Materials Sciencein Wonderland?
2019 D'Ischia, M.; Manini, P.; Moracci, M.; Saladino, R.; Ball, V.; Thissen, H.; Evans, R. A.; Puzzarini, C.; Barone, V.
Asymmetric hydrogenation of 1-aryl substituted-3,4-dihydroisoquinolines with iridium catalysts bearing different phosphorus-based ligands
2020 Facchetti, G.; Christodoulou, M. S.; Binda, E.; Fuse', M.; Rimoldi, I.
Asymmetric Hydrogenation vs Transfer Hydrogenation in the Reduction of Cyclic Imines
2018 Facchetti, G.; Bucci, R.; Fuse', M.; Rimoldi, I.
Asymmetric Reactions Enabled by Cooperative Enantioselective Amino- and Lewis Acid Catalysis
2019 Cozzi, Pier Giorgio; Gualandi, Andrea; Potenti, Simone; Calogero, Francesco; Rodeghiero, Giacomo
ATIRS package: A program suite for the rovibrational analysis of infrared spectra of asymmetric top molecules
2007 Tasinato, N.; Pietropolli Charmet, A.; Stoppa, P.
Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene
2000 Bak, Keld L.; Koch, Henrik; Oddershede, Jens; Christiansen, Ove; Sauer, Stephan P. A.
Atropodiastereoselectivity in solid state BINOL synthesis: Leads from the estradiol platform
2012 Lista, Liliana; Pezzella, Alessandro; Manini, Paola; Napolitano, Alessandra; D'Ischia, Marco
Atypical Structural and pi-Electron Features of a Melanin Polymer That Lead to Superior Free-Radical-Scavenging Properties
2013 Panzella, Lucia; Gentile, G.; D'Errico, Gerardino; Della Vecchia, Nicola Fyodor; Errico, M. E.; Napolitano, Alessandra; Carfagna, Cosimo; D'Ischia, Marco
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