Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Towards Eumelanin@Zeolite Hybrids: Pore-Size-Controlled 5,6-Dihydroxyindole Polymerization
2014 Prasetyanto, E. A.; Manini, Paola; Napolitano, Alessandra; Crescenzi, Orlando; D'Ischia, Marco; De Cola, L.
Towards In-Silica Screening of Molecule Permeation through Outer Membrane Channels in Gramm-Negative Bacteria
2017 Bodrenko, Igor V.; Acosta-Gutierrez, Silvia; D’Agostino, Tommaso; Salis, Samuele; Samanta, Susruta; Andrea Scorciapino, Mariano; Ceccarelli, Matteo
Towards Linear Scaling in Continuum Solvent Models: a New Iterative Procedure for Energies and Geometry Optimizations
1998 N., Rega; M., Cossi; Barone, Vincenzo
Towards the Design of Highly Selective Recognition Sites into Molecular Imprinting Polymers: a Computational Approach
2006 S., Monti; Cappelli, Chiara; S., Bronco; P., Giusti; G., Ciardelli
Towards the Grid design of the dynamics engine of a molecular simulator.
2006 Gervasi, O.; Laganà, A.; Crocchianti, S.; Pacifici, L.; Skouteris, Dimitrios
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
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
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