Sfoglia per Chimica e Geologia
Solvent effects on vibrational modes: ab initio calculation, scaling and solvent functions with applications to the carbonyl stretch of dialkyl ketones
2001 Cappelli, Chiara; DA SILVA, C. O.; Tomasi, J.
Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: a combined computational and experimental study of 2,2,5,5-tetramethyl-3-carboxypyrrolidine and 2,2,6,6-tetramethyl-4-carboxypiperidine nitroxides
2002 Saracino, G. A. A.; Tedeschi, A.; D'Errico, G.; Improta, R.; Franco, L.; Ruzzi, M.; Corvaia, C.; Barone, Vincenzo
Solving the Tautomeric Equilibrium of Purine through Analysis of the Complex Hyperfine Structure of the Four 14N Nuclei
2016 Favero, Laura B.; Uriarte, Iciar; Spada, Lorenzo; Écija, Patricia; Calabrese, Camilla; Caminati, Walther; Cocinero, Emilio J.
Spectroscopic Applications of Rare Earth Complexes dependent on Ligands Structure and Lanthanide Ion
2013 Lo Piano, Samuele
Spectroscopic Characterization of 3-Aminoisoxazole, a Prebiotic Precursor of Ribonucleotides
2022 Melli, Alessio; Melosso, Mattia; Lengsfeld, K. G.; Bizzocchi, Luca; Rivilla, V. M.; Dore, L.; Barone, Vincenzo; Grabow, J. -U.; Puzzarini, Cristina
The Spectroscopic Characterization of Halogenated Pollutants through the Interplay between Theory and Experiment: Application to R1122
2022 Charmet, A. P.; Ceselin, G.; Stoppa, P.; Tasinato, N.
Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life
2017 Puzzarini, Cristina; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo; Murphy, Thomas E.; Drew, H. Dennis; Ali, Ashraf
Spectroscopic measurements of SO(2) line parameters in the 9.2 mum atmospheric region and theoretical determination of self-broadening coefficients
2010 Tasinato, Nicola; Charmet, Andrea Pietropolli; Stoppa, Paolo; Giorgianni, Santi; Buffa, Giovanni
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
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