Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Conformational characterization of Lanthanide(III)-DOTA complexes by ab-initio investigation in vacuo and in aqueous solution
2002 Cosentino, U.; Villa, A.; Pitea, D.; Moro, G.; Barone, Vincenzo; Maiocchi, A.
CONFORMATIONAL EFFECTS AND LONE PAIR LEVELS OF DIAZA COMPOUNDS - 2,2'-BIPYRIDINE AND 4,5-DIAZAPHENANTHRENE AS TEST CASES
1982 Barone, Vincenzo; Cristinziano, Pl; Lelj, F; Pastore, A; Russo, N.
Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study
2013 Barone, Vincenzo; Corentin, Boilleau; Ivo, Cacelli; Alessandro, Ferretti; Giacomo, Prampolini
Conformational Equilibrium and Potential Energy Functions of the O-H Internal Rotation in the Axial and Equatorial Species of 1-Methylcyclohexanol
2016 Li, Weixing; Spada, Lorenzo; Evangelisti, Luca; Caminati, Walther
CONFORMATIONAL PREFERENCES AND SELF-ASSOCIATION MODES OF 2 DIASTEREOMERIC STATINE DERIVATIVES
1987 Toniolo, C; Valle, G; Bonora, Gm; Lelj, F; Barone, Vincenzo; Fraternali, F; Callet, G; Wagnon, J; Nisato, D.
CONFORMATIONAL-ANALYSIS OF N-(BETA-ACETOXYETHYL)PYRIDINIUM ION - COMPARISONS WITH ACETYLCHOLINE
1980 Barone, Vincenzo; Lelj, F; Russo, N.
CONFORMATIONAL-ANALYSIS OF POLYPROPYLENE CHAINS BOUND TO MODEL CATALYTIC SITES
1984 Corradini, P; Guerra, G; Barone, Vincenzo
The consequences of improperly describing oscillator strengths beyond the electric dipole approximation
2015 Lestrange, Patrick J.; Egidi, Franco; Li, Xiaosong
Continuous Perception for Immersive Interaction and Computation in Molecular Sciences
2023 Lazzari, Federico
Continuum solvation approaches to vibrational properties
2007 Cappelli, Chiara
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems
2023 Giovannini, Tommaso; Cappelli, Chiara
Copper nano-architecture topical cream for the accelerated recovery of burnt skin
2023 Ermini, M. L.; Summa, M.; Zamborlin, Agata; Frusca, V.; Mapanao, Ana Katrina; Mugnaioli, E.; Bertorelli, R.; Voliani, Valerio
Core and valence electrons in atom-by-atom descriptions of molecules
1999 Fliszar, A.; Vauthier, E. C.; Barone, Vincenzo
Coriolis couplings in variational computations of vibrational spectra beyond the harmonic approximation: implementation and validation
2004 P., Carbonniere; Barone, Vincenzo
Correct Modeling of Cisplatin: a Paradigmatic Case
2017 Tasinato, Nicola; Puzzarini, Cristina; Barone, Vincenzo
Correcting the experimental enthalpies of formation of some members of the biologically significant sulfenic acids family
2022 Ventura, Oscar N; Segovia, Marc; Vega-Teijido, Mauricio; Katz, Aline; Kieninger, Martina; Tasinato, Nicola; Salta, Zoi
Correction to Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules
2016 Piccardo, Matteo; Penocchio, Emanuele; Puzzarini, Cristina; Biczysko, Malgorzata; Barone, Vincenzo
Correction to “Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures”
2023 Lafiosca, Piero; Giovannini, Tommaso; Benzi, Michele; Cappelli, Chiara
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models
2017 Høyvik, Ida-Marie; Myhre, Rolf Heilemann; Koch, Henrik
Correlation of attack and recoil angles for the Li +HF reaction : an exact quantum mechanical study at low and high total angular momentum
2008 Skouteris, Dimitrios; Crocchianti, Stefano; Lagana, Antonio
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