Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia

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Mostrati risultati da 860 a 879 di 1.925
Titolo Data di pubblicazione Autori Tipo File
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 2015 LICARI, DANIELEBAIARDI, ALBERTOBICZYSKO, MALGORZATA AGNIESZKAEGIDI, FRANCOLATOUCHE, CAMILLEBARONE, Vincenzo 1.1 Articolo in rivista
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections 2002 Koch, Henrik + 1.1 Articolo in rivista
Implementation of the ABC quantum mechanical reactive scattering program on the EGEE grid platform 2008 SKOUTERIS, Dimitrios + 1.1 Articolo in rivista
An improved AMBER force field for α,α-dialkylated peptides: intrinsic and solvent-induced conformational preferences of model systems 2013 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
An improved study of HCO+ and He system: Interaction potential, collisional relaxation, and pressure broadening 2021 Tonolo FrancescaBizzocchi LucaMelosso MattiaBarone VincenzoPuzzarini Cristina + 1.1 Articolo in rivista
Improving performance of polarizable continuum model for study of large molecules in solution 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
Improving the performances of the LIBS technique for the analysis of solid and liquid samples using noble metal nanoparticles 2022 POGGIALINI, Francesco 9.1 Tesi PhD
In search of phosphorus in astronomical environments: The reaction between the CP radical and methanimine 2021 Alessandrini S.Tonolo F.Puzzarini C. 1.1 Articolo in rivista
In silico design of graphene plasmonic hot-spots 2022 Bonatti, LucaNicoli, LucaGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
In silico investigation of the interaction between the voltage-gated potassium channel Kv4.3 and its auxiliary protein KChIP1 2019 Catte A.Ferbel L.Bhattacharjee N.D'Agostino T.Brancato G. + 1.1 Articolo in rivista
In Silico Study of Molecular-Engineered Nanodevices: A Lockable Light-Driven Motor in Dichloromethane Solution 2013 ZAZZA, CostantinoMANCINI, GIORDANOBRANCATO, GiuseppeBARONE, Vincenzo 1.1 Articolo in rivista
In vitro and in silico vibrational-rotational spectroscopic characterization of the next-generation refrigerant HFO-1123 2022 Tasinato, NicolaCeselin, GiorgiaSalta, Zoi + 1.1 Articolo in rivista
In vivo prooxidant state in Werner syndrome (WS): results from 3 WS patients and 2 WS heterozygotes 2005 D'ISCHIA, MARCO + 1.1 Articolo in rivista
INCLUSION OF HARTREE-FOCK EXCHANGE IN DENSITY-FUNCTIONAL METHODS - HYPERFINE-STRUCTURE OF 2ND ROW ATOMS AND HYDRIDES 1994 BARONE, Vincenzo 1.1 Articolo in rivista
INCLUSION OF HARTREE-FOCK EXCHANGE IN THE DENSITY-FUNCTIONAL APPROACH - BENCHMARK COMPUTATIONS FOR DIATOMIC-MOLECULES CONTAINING H, B, C, N, O, AND F ATOMS 1994 BARONE, Vincenzo 1.1 Articolo in rivista
Inexpensive and accurate predictions of optical excitations in transition-metal complexes: the TDDFT/PBE0 route 2000 BARONE, Vincenzo + 1.1 Articolo in rivista
Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations 2007 BARONE, Vincenzo + 1.1 Articolo in rivista
The infrared and vibrational circular dichroism spectra of (S)proline in water: an ab initio study 2005 CAPPELLI, Chiara + 4.1 Contributo in Atti di convegno
Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model 2005 CAPPELLI, Chiara + 1.1 Articolo in rivista
Infrared spectra, integrated band intensities, and anharmonic force field of H2C=CHF 2009 Tasinato, Nicola + 1.1 Articolo in rivista
Mostrati risultati da 860 a 879 di 1.925
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