Sfoglia per Chimica e Geologia
Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers
2014 Fornaro, Teresa; Malgorzata, Biczysko; Susanna, Monti; Barone, Vincenzo
Dissecting Bonding Interactions in Cysteine Dimers
2022 Gomez Maya, Sara Luz S.; Gomez, Santiago; David, Jorge; Guerra, Doris; Cappelli, Chiara; Restrepo, Albeiro
Dissociative Electron Transfer in Donor-Peptide-Acceptor Systems: Results for Kinetic Parameters from a Density Functional/Polarizable Continuum Model
2006 Barone, Vincenzo; M. D., Newton; R., Improta
The Distance between N and C Termini of Tau and of FTDP-17 Mutants Is Modulated by Microtubule Interactions in Living Cells
2017 Di Primio, Cristina; Quercioli, Valentina; Siano, Giacomo; Rovere, Matteo; Kovacech, Branislav; Novak, Michal; Cattaneo, Antonino
Diving for Accurate Structures in the Ocean of Molecular Systems with the Help of Spectroscopy and Quantum Chemistry
2018 Puzzarini, Cristina; Barone, Vincenzo
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality
2018 Salvadori, Andrea; Fusè, Marco; Mancini, Giordano; Rampino, Sergio; Barone, Vincenzo
DNA Capture Mechanism on Silicon Nanowires: a Molecular Dynamics Approach
2010 S., Monti; I., Cacelli; A., Ferretti; G., Prampolini; Barone, Vincenzo
DNA complementary and partially complementary tethered to a functionalized substrate:a molecular dynamics approach to biosensing
2011 S., Monti; I., Cacelli; A., Ferretti; G., Prampolini; Barone, Vincenzo
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?
2022 Giovannini, T.; Bonatti, L.; Lafiosca, P.; Nicoli, L.; Castagnola, M.; Illobre, P. G.; Corni, S.; Cappelli, C.
Dopamine in the ink defence system of Sepia officinalis: biosynthesis, vesicular compartmentation in mature ink gland cells, nitric oxide (NO)/cGMP-induced depletion and fate in secreted ink
2003 Fiore, G; Poli, A; DI COSMO, Anna; D'Ischia, Marco; Palumbo, A.
Dopamine-Based Coatings and Hydrogels: Toward Substitution-Related Structure-Property Relationships
2014 Cui, Jiaxi; Iturri, Jagoba; Paez, Julieta; Shafiq, Zahid; Serrano, Cristina; D'Ischia, Marco; del Campo, Arynzazu
Dopaquinone redox exchange with dihydroxyindole and dihydroxyindole carboxylic acid
2006 Edge, R.; D'Ischia, M.; Land, E. J.; Napolitano, A.; Navaratnam, S.; Panzella, L.; Pezzella, A.; Ramsden, C. A.; Riley, P. A.
Double C-H Activation of Ethane by Metal-free SO2 •+ Radical Cations
2010 G., de Petris; A., Cartoni; A., Troiani; Barone, Vincenzo; P., Cimino; G., Angelini; O., Ursini
Drug-Free Hybrid Nanoarchitecture Modulation of the Metastatic Behavior of Pancreatic Ductal Adenocarcinoma in Alternative in Vivo Models
2023 Zamborlin, Agata; Sarogni, Patrizia; Frusca, Valentina; Gonnelli, Alessandra; Giannini, Noemi; Ermini, Maria Laura; Marranci, Andrea; Pagliari, Francesca; Mazzanti, Chiara Maria; Seco, Joao; Voliani, Valerio
Dual fluorescence through Kasha's rule breaking: an unconventional photomechanism for intracellular probe design
2015 Brancato, Giuseppe; Signore, Giovanni; Neyroz, Paolo; Polli, Dario; Cerullo, Giulio; Abbandonato, Gerardo; Nucara, Luca; Barone, Vincenzo; Beltram, Fabio; Bizzarri, Ranieri
Duschinsky, Herzberg–Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of Pyrene
2013 Francisco J., Avila Ferrer; Barone, Vincenzo; Chiara, Cappelli; Fabrizio, Santoro
Dye-sensitized photooxidation of vitamin E revisited. New 7-oxaspiro(4,5)dec-1-ene-3,6-dione product by oxygenation and ring contraction of alfa-tocopherol
1991 D'Ischia, M.; Costantini, C.; Prota., G.
Dynamic CCSD polarisabilities of CHF3 and CHCl3
1996 Kobayashi, Rika; Amos, Roger D.; Koch, Henrik; Jørgensen, Poul
A dynamical approach to the calculation of thermal reaction rate constants
2008 Conte, Riccardo
A Dynamics Investigation of the C + CH+ → C2++ H Reaction on an ab Initio Bond-Order-Like Potential
2016 Pacifici, Leonardo; Pastore, Mariachiara; Garcia, Ernesto; Laganà, Antonio; Rampino, Sergio
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