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Mostrati risultati da 1.348 a 1.367 di 2.003
Titolo Data di pubblicazione Autori Tipo File
Polarizable QM/MM Approaches for Molecular Excited States in Complex Environments 2023 SKOKO, SULEJMAN 9.1 Tesi PhD
A polarizable three-layer frozen density embedding/molecular mechanics approach 2021 Egidi, FrancoAngelico, SaraLafiosca, PieroGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
POLY 606-A Molecular Dynamics Approach to the Supramolecular Structure of Collagen and Related Binding Properties 2006 CAPPELLI, Chiara + 1.1 Articolo in rivista
Polydopamine and Eumelanin: From Structure-Property Relationships to a Unified Tailoring Strategy 2014 D'ISCHIA, MARCO + 1.1 Articolo in rivista
POLYMERS FROM NATURALLY OCCURRING PHENOLS AS NOVEL BIOINSPIRED ANTIOXIDANTS 2015 M. d'Ischia + 4.2 Abstract in Atti di convegno
Polynuclear EDTA Complexes in Aqueous Solution: A Proof of Concept 2025 Benedetti, LucaBrancato, Giuseppe + 1.1 Articolo in rivista
Porin flexibility in Providencia stuartii: cell-surface-exposed loops L5 and L7 are markers of Providencia porin OmpPst1 2017 D'Agostino, Tommaso + 1.1 Articolo in rivista
Possible scenarios for SiS formation in the interstellar medium: Electronic structure calculations of the potential energy surfaces for the reactions of the SiH radical with atomic sulphur and S2 2018 ROSI, MarzioSkouteris, DimitriosCeccarelli, CeciliaPodio, LindaCodella, ClaudioBalucani, Nadia + 1.1 Articolo in rivista
Potential decomposition in the multiconfiguration time-dependent Hartree study of the confined H atom 2011 SKOUTERIS, Dimitrios + 1.1 Articolo in rivista
Potential energy surface of fluoroxene: Experiment and theory 2016 Spada, Lorenzo + 1.1 Articolo in rivista
Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes 2016 Koch, Henrik + 1.1 Articolo in rivista
Potential-Energy Surfaces for Ring-Puckering Motions of Flexible Cyclic Molecules through Cremer-Pople Coordinates: Computation, Analysis, and Fitting 2019 Paoloni LorenzoRampino SergioBarone Vincenzo 1.1 Articolo in rivista
Powering tyrosol antioxidant capacity and osteogenic activity by biocatalytic polymerization 2016 D'ISCHIA, MARCO + 1.1 Articolo in rivista
Practical one-pot conversion of 17b -estradiol to 10 b -hydroxy- (p-quinol) and 10 b -chloro-17 b -hydroxyestra-1,4-dien-3-one 2006 D'ISCHIA, MARCO + 1.1 Articolo in rivista
Precursors of the RNA World in Space: Detection of (Z)-1,2-ethenediol in the Interstellar Medium, a Key Intermediate in Sugar Formation 2022 Melosso M.Bizzocchi L.Tonolo F.Alessandrini S.Barone V.Puzzarini C. + 1.1 Articolo in rivista
Prediction of Molecular Properties for Systems of Biological Interests 2007 BARONE, VincenzoJ. Bloino + 4.1 Contributo in Atti di convegno
Prediction of pKa Using ab-initio Continuum Solvation Quantum Chemistry. I.Application of PCM-UATM for Carboxylic Acids 1998 BARONE, Vincenzo + 1.1 Articolo in rivista
Prediction of solvent effects on vibrational intensities and Raman activities in solution with the Polarizable Continuum Model: a study of push-pull molecules 2003 CAPPELLI, Chiara + 1.1 Articolo in rivista
Prediction of thermodynamic instabilities of protein solutions from simple protein-protein interactions 2013 D'Agostino, Tommaso + 1.1 Articolo in rivista
PREFERRED CONFORMATION OF PEPTIDES FROM C-ALPHA,ALPHA-SYMMETRICALLY DISUBSTITUTED GLYCINES - AROMATIC RESIDUES 1991 BARONE, Vincenzo + 1.1 Articolo in rivista
Mostrati risultati da 1.348 a 1.367 di 2.003
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