Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
SPECTROSCOPIC PROPERTIES IN LIQUID PHASE: COMBINING MOLECULAR DYNAMICS AND HIGH LEVEL AB INITIO CALCULATIONS
2004 M., Pavone; Barone, Vincenzo; Brancato, Giuseppe
Spectroscopic properties in the liquid phase: Combining high-level ab initio calculations and classical molecular dynamics
2006 Pavone, M; Brancato, Giuseppe; Morelli, G; Barone, Vincenzo
Spectroscopic properties of molecules in solution: an effective computational approach based on non-periodic boundary conditions
2009 Barone, Vincenzo; Brancato, Giuseppe; P., Cimino; O., Crescenzi; M., Pavone; N., Rega
Spectroscopic Studies of Molecular Systems Relevant in Astrobiology
2016 Fornaro, Teresa
Spectroscopic study of CHBrF(2) up to 9500 cm(-1): Vibrational analysis, integrated band intensities, and ab initio calculations
2010 Charmet, Andrea Pietropolli; Stoppa, Paolo; Tasinato, Nicola; Baldan, Alessandro; Giorgianni, Santi; Gambi, Alberto
Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges
2019 Faber, R.; Kjonstad, E. F.; Koch, H.; Coriani, S.
SPIN-DENSITY IN A NITRONYL NITROXIDE FREE-RADICAL - POLARIZED NEUTRON-DIFFRACTION INVESTIGATION AND AB-INITIO CALCULATIONS
1994 Zheludev, A; Barone, Vincenzo; Bonnet, M.
Spontaneous wrinkle emergence in nascent eumelanin thin films
2019 Stefano Luigi Oscurato, ; Formisano, Fabio; Corrado de Lisio, ; D’Ischia, Marco; Gesuele, Felice; Maddalena, Pasqualino; Manini, Paola; Migliaccio, Ludovico; Pezzella, Alessandro
STABILITY AND STRUCTURE OF FORMAMIDE AND UREA DIMERS IN AQUEOUS-SOLUTION - A THEORETICAL-STUDY
1989 Cristinziano, P; Lelj, F; Amodeo, P; Barone, G; Barone, Vincenzo
Stability of Van der Waals complexes of the greenhouse effect gases CH4and SF6with imidazole in gas mixtures containing CO2
2016 Boussessi, R.; Dalbouha, S.; Timón, V.; Komiha, N.; Jaïdane, N.; Senent, M. L.
Stability of van der Waals complexes of the greenhouse effect gases NH3, SO2and CO with imidazole in gas mixtures containing CO2
2017 Dalbouha, S.; Boussessi, R.; Komiha, N.; Jaïdane, N.; Senent, M. L.
Stable Benzacridine Pigments by Oxidative Coupling of Chlorogenic Acid with Amino Acids and Proteins: Toward Natural Product-Based Green Food Coloring
2017 Iacomino, Mariagrazia; Weber, Fabian; Gleichenhagen, Maike; Pistorio, Valeria; Panzella, Lucia; Pizzo, Elio; Schieber, Andreas; D'Ischia, Marco; Napolitano, Alessandra
State-of-the-art computation of the rotational and IR spectra of the methyl-cyclopropyl cation: Hints on its detection in space
2019 Puzzarini, Cristina; Tasinato, Nicola; Bloino, Julien; Spada, Lorenzo; Barone, Vincenzo
State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study
2016 Vazart, Fanny; Calderini, Danilo; Puzzarini, Cristina; Skouteris, Dimitrios; Barone, Vincenzo
Static polarizabilities and dipole moment derivatives for the closed shell coupled cluster singles and doubles wave function
1994 Kobayashi, Rika; Koch, Henrik; Jørgensen, Poul
Statistical mechanics and thermodynamics of simulated ionic solutions
2002 D'Alessandro, M; D'Abramo, M; Brancato, Giuseppe; Di Nola, A; Amadei, A.
Stem cell-compatible eumelanin biointerface fabricated by chemically controlled solid state polymerization
2015 Pezzella, Alessandro; Mario, Barra; Musto, Anna; Navarra, Angelica; Michela, Alfè; Manini, Paola; Parisi, Silvia; Cassinese, Antonio; Criscuolo, Valeria; D'Ischia, Marco
Stem cell-compatible mussel-inspired adhesive thin films built upon natural catechols
2016 Napolitano, Alessandra; Iacomino, Mariagrazia; Paez Julieta, I; Avolio, Roberto; Carpentieri, Andrea; Panzella, Lucia; Falco, Geppino; Pizzo, Eliodoro; Errico Maria Emanuela, ; del Campo Aránzazu, ; D’Ischia, Marco
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol
2014 Egidi, Franco; Giovannini, Tommaso; Piccardo, Matteo; Bloino, Julien; Cappelli, Chiara; Barone, Vincenzo
STERIC CONTROL IN THE 1ST STEP OF THE ISO-SPECIFIC ZIEGLER-NATTA POLYMERIZATION OF PROPENE
1982 Corradini, P; Barone, Vincenzo; Guerra, G.
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