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Mostrati risultati da 608 a 627 di 1.951
Titolo Data di pubblicazione Autori Tipo File
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution 2007 J. BLOINOBARONE, Vincenzo + 1.1 Articolo in rivista
Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution 2007 BARONE, Vincenzo + 1.1 Articolo in rivista
Effective modeling of intrinsic and environmental effects on the structure and EPR parameters of nitroxides by an integrated QM/MM/PCM approach 2000 BARONE, Vincenzo + 1.1 Articolo in rivista
Effective Time-Independent Calculations of Vibrational Resonance Raman Spectra of Isolated and Solvated Molecules Including Duschinsky and Herzberg-Teller Effects 2011 CAPPELLI, ChiaraBARONE, Vincenzo + 1.1 Articolo in rivista
Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect 2013 BARONE, VincenzoChiara Cappelli + 1.1 Articolo in rivista
Effective yet Reliable Computation of EPR Spectra in Solution by a QM/MM Approach: Interplay between Electrostatics and Non-electrostatic Effects 2019 Cappelli, ChiaraChandramouli, BalasubramanianGiovannini, TommasoLafiosca, PieroBarone, Vincenzo 1.1 Articolo in rivista
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects 2019 Giovannini, TommasoLafiosca, PieroChandramouli, BalasubramanianBarone, VincenzoCappelli, Chiara 1.1 Articolo in rivista
Effects of Fluorine Substitution on the Microsolvation of Aromatic Azines: The Microwave Spectrum of 3-Fluoropyridine-Water 2016 Spada, Lorenzo + 1.1 Articolo in rivista
Effects of lipoic acid, caffeic acid and a synthesized lipoyl-caffeic conjugate on human hepatoma cell lines 2011 D'Ischia M. + 1.1 Articolo in rivista
Effects of the pathological Q212P mutation on human prion protein non-octarepeat copper-binding site 2012 MANCINI, GIORDANO + 1.1 Articolo in rivista
Effects of walnut husk washing waters and their phenolic constituents on horticultural species 2012 d'Ischia M. + 1.1 Articolo in rivista
An efficient algorithm for Cholesky decomposition of electron repulsion integrals 2019 Folkestad S. D.Kjonstad E. F.Koch H. 1.1 Articolo in rivista
An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO2− 2021 Giovannini T.Egidi F. + 1.1 Articolo in rivista
Efficient Excited-State Symmetry Breaking in a Cationic Quadrupolar System Bearing Diphenylamino Donors 2016 BENASSI, ENRICOBARONE, Vincenzo + 1.1 Articolo in rivista
Efficient parallel all-electron four-component dirac-kohn-sham program using a distributed matrix approach II 2013 Rampino, Sergio + 1.1 Articolo in rivista
Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes 1996 Ruud, K.Koch, H. + 1.1 Articolo in rivista
Efficient synthesis of 5,6-dihydroxyindole dimers, key eumelanin building blocks, by a unified o-ethynylaniline-based strategy for the construction of 2-linked biindolyl scaffolds 2009 D'Ischia, Marco + 1.1 Articolo in rivista
Elastic rods in life- and material-sciences: A general integrable model 2009 BARONE, Vincenzo + 1.1 Articolo in rivista
Electron Paramagnetic ResonanceL: Volume 25 2017 Barone, VincenzoPiserchia, Andrea + 1.1 Articolo in rivista
Electron transfer in the [Pt(NH3)4]2+ [W(CN)8]3- donor-acceptor system. The environment effect: a time dependent density functional study 2001 BARONE, Vincenzo + 1.1 Articolo in rivista
Mostrati risultati da 608 a 627 di 1.951
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