Sfoglia per Chimica e Geologia
Towards the SMART workflow system for computational spectroscopy
2018 Licari, D.; Fusè, M.; Salvadori, A.; Tasinato, N.; Mendolicchio, M.; Mancini, G.; Barone, V.
Towards the Supramolecular Structure of Collagen: a Molecular Dynamics Approach
2005 S., Monti; S., Bronco; Cappelli, Chiara
Towards the understanding of the excited state behavior of nucleic acids: how solvent and stacking interactions modulate the structure and the reactivity of nucleobases excited state
2007 R., Improta; Barone, Vincenzo; F., Santoro
Toxicity of melanin-free ink of Sepia officinalis to transformed cell lines: identification of the active factor as tyrosinase
2003 Gian Luigi, Russo; Nisco Elio, De; Gabriella, Fiore; Donato Paola, Di; D'Ischia, M.; Anna., Palumbo
Transformation pathways of polycyclic aromatic hydrocarbons and biomolecule precursors of astrochemical origin under model conditions of prebiotic relevance
2024 Lino, Valeria
TRANSITION-METAL TETRAHYDROBORATE COMPLEXES AS CATALYSTS .1. NON-EMPIRICAL DETERMINATION OF STATIC, DYNAMIC, AND CHEMICAL-PROPERTIES OF THE MODEL COMPOUNDS NABH4 AND ALH2BH4
1981 Barone, Vincenzo; Dolcetti, G; Lelj, F; Russo, N.
TRANSITION-STATE STRUCTURE AND ISOTOPE EFFECTS IN UNIMOLECULAR HYDROGEN ELIMINATION FROM CARBOCATIONS
1983 Barone, Vincenzo; Bianchi, N; Lelj, F.
Transport properties of binuclear metal complexes of the VIII group using a simplified NEGF-DFT approach
2013 Barone, Vincenzo; Ivo, Cacelli; Alessandro, Ferretti; Michele, Visciarelli
Trichocyanines: A Red-Hair-Inspired Modular Platform for Dye-Based One-Time-Pad Molecular Cryptography
2015 Leone, Loredana; Pezzella, Alessandro; Crescenzi, Orlando; Napolitano, Alessandra; Barone, V.; D'Ischia, Marco
Trihydroxybenzacridine pigments by oxidative coupling of chlorogenic acid with amino acids and proteins: toward natural product-based green food coloring
2017 Napolitano, Alessandra; Iacomino, Mariagrazia; Weber, Fabian; Passon, Maike; Pistorio, Valeria; Panzella, Lucia; Pizzo, Elio; Schieber, Andreas; D'Ischia, Marco
Tris buffer modulates polydopamine growth, aggregation, and paramagnetic properties
2014 Della Vecchia, Nf; Luchini, Alessandra; Napolitano, Alessandra; D'Errico, Gerardino; Vitiello, Giuseppe; Szekely, N; D'Ischia, Marco; Paduano, Luigi
Tubulin nitration in human gliomas
2006 Fiore, Gabriella; Cristo, Carlo Di; Monti, Gianluca; Amoresano, Angela; Columbano, Laura; Pucci, Pietro; Cioffi, Fernando A.; Cosmo, Anna Di; Palumbo, Anna; D'Ischia, Marco
Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1)
2018 Schiavo, Eduardo; Muñoz-García, Ana B.; Barone, Vincenzo; Vittadini, Andrea; Casarin, Maurizio; Forrer, Daniel; Pavone, Michele
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study
2016 Del Frate, Gianluca; Bellina, Fabio; Mancini, Giordano; Marianetti, Giulia; Minei, Pierpaolo; Pucci, Andrea; Barone, Vincenzo
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach
2013 Egidi, F.; Bloino, J.; Cappelli, Chiara; Barone, Vincenzo; Tomasi, J.
Tuning of structural and magnetic properties of nitronylnitroxides by the environment. A combined experimental and computational study
1999 Adamo, C.; Di Matteo, A.; Rey, P.; Barone, Vincenzo
Tuning ultrafast time-evolution of photo-induced charge-transfer states : a real-time electronic dynamics study in substituted indenotetracene derivatives
2024 Crisci, Luigi; Coppola, Federico; Petrone, Alessio; Rega, Nadia
A twist on the reaction of the CN radical with methylamine in the interstellar medium: New hints from a state-of-the-art quantum-chemical study
2020 Puzzarini, C.; Salta, Z.; Tasinato, N.; Lupi, J.; Cavallotti, C.; Barone, V.
Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations
2017 Egidi, Franco; Sun, Shichao; Goings, Joshua J.; Scalmani, Giovanni; Frisch, Michael J.; Li, Xiaosong
Two-dimensional infrared spectroscopy of Glycine-L-Alanine-Methylamide
2009 Candelaresi, M.; Foggi, P.; Lima, M.; Palmer, D. J.; Mennucci, B.; Cappelli, Chiara; Monti, S.
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file non ad Accesso aperto
- file sotto embargo
- nessun file disponibile