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Mostrati risultati da 717 a 736 di 1.959
Titolo Data di pubblicazione Autori Tipo File
F429 Regulation of Tunnels in Cytochrome P450 2B4: A Top Down Study of Multiple Molecular Dynamics Simulations 2015 MANCINI, GIORDANO + 1.1 Articolo in rivista
Fanconi anaemia proteins: major roles in cell protection against oxidative damage 2003 d'Ischia M. + 1.1 Articolo in rivista
Fanconi anemia (FA) and crosslinker sensitivity: Re-appraising the origins of FA definition 2015 D'ISCHIA, MARCO + 1.1 Articolo in rivista
Fast exploration of potential energy surfaces with a joint venture of quantum chemistry, evolutionary algorithms and unsupervised learning 2022 Mancini, GiordanoLazzari, FedericoBarone, Vincenzo + 1.1 Articolo in rivista
Fast noniterative orbital localization for large molecules 2006 Koch, Henrik + 1.1 Articolo in rivista
A fast redox-induced switching mechanism in a conformationally controllable molecular thread in solution 2010 MANCINI, GIORDANO + 1.1 Articolo in rivista
The Fate of Intranasally Instilled Silver Nanoarchitectures 2022 Zamborlin AgataGiannone GiuliaVoliani Valerio + 1.1 Articolo in rivista
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 2019 Mazzeo G.ABBATE, SergioPaoloni L.Bloino J.Rampino S.Barone V. + 1.1 Articolo in rivista
“Fifty shades” of black and red or how carboxyl groups fine tune eumelanin and pheomelanin properties 2016 D'ISCHIA, MARCO + 1.1 Articolo in rivista
Fine tuning the intermolecular interactions of water clusters using dispersion-corrected density functional theory 2023 Ferretti, AlfonsoSinha, SourabBrancato, Giuseppe + 1.1 Articolo in rivista
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 2017 Macchiagodena, MarinaPagliai, MarcoDel Frate, GianlucaMancini, GiordanoBarone, Vincenzo 1.1 Articolo in rivista
Finite elements molecular surfaces in continuum solvent models for large chemical systems 2002 BARONE, Vincenzo + 1.1 Articolo in rivista
The first 5,6-dihydroxyindole tetramer by oxidation of 5,5',6,6'-tetrahydroxy-2,4'-biindolyl and an unexpected issue of positional reactivity en route to eumelanin-related polymers 2007 D'Ischia, Marco + 1.1 Articolo in rivista
First principle simulation of vibrationally resolved A2 B1←X2 A1 electronic transition of phenyl radical 2009 J. BLOINOBARONE, Vincenzo + 1.1 Articolo in rivista
First Principles Methods in Biology : From Continuum Models to Hybrid Ab initio Quantum Mechanics/Molecular Mechanics 2016 BRANCATO, Giuseppe + 2.1 Contributo in volume (Capitolo o Saggio)
First synthetic entry to the trimer stage of 5,6-dihydroxyindole polymerization: ortho-alkynylaniline-based access to the missing 2,7':2',7''-triindole 2010 D'ISCHIA, MARCO + 1.1 Articolo in rivista
First-order one-electron properties in the integral-direct coupled cluster singles and doubles model 1997 Koch, Henrik + 1.1 Articolo in rivista
First-principle molecular dynamics of the Berry pseudorotation: insights on 19F NMR in SF4 2004 BARONE, Vincenzo + 1.1 Articolo in rivista
First-row transition-metal hydrides: A challenging playground for new theoretical approaches 1997 BARONE, Vincenzo + 1.1 Articolo in rivista
Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code 2017 CARRILLO PARRAMON, OLIVERDel Galdo, SaraMancini, GiordanoAmadei, AndreaBarone, Vincenzo + 1.1 Articolo in rivista
Mostrati risultati da 717 a 736 di 1.959
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