Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable
2019 Fusè, Marco; Egidi, Franco; Bloino, Julien
Vibrational circular dichroism within the polarizable continuum model: a theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution
2002 Cappelli, Chiara; Corni, S.; Mennucci, B.; Cammi, R.; Tomasi, J.
Vibrational computations beyond the harmonic approximation: performances of the B3LYP functional for semirigid molecules
2005 P., Carbonniere; T., Lucca; C., Pouchan; N., Rega; Barone, Vincenzo
Vibrational Density Matrix Renormalization Group
2017 Baiardi, Alberto; Stein, Christopher J.; Barone, Vincenzo; Reiher, Markus
VIBRATIONAL MODULATION EFFECTS ON THE HYPERFINE COUPLING-CONSTANTS OF FLUOROMETHYL RADICALS
1993 Barone, Vincenzo; Grand, A; Minichino, C; Subra, R.
Vibrational spectra of difluorosilane from a hybrid ab-initio and DFT quartic force field
2005 D., Begue; P., Carbonniere; Barone, Vincenzo; C., Pouchan
Vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: the case of pyrrole and furan
2004 Barone, Vincenzo
Vibrational zero point energies and thermodynamic functions beyond the harmonic approximation
2004 Barone, Vincenzo
Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment
2015 Baiardi, Alberto; Mendolicchio, Marco; Barone, Vincenzo; Fronzoni, Giovanna; Cardenas Jimenez, Gustavo Adolfo; Stener, Mauro; Grazioli, Cesare; De Simone, Monica; Coreno, Marcello
Vibrationally resolved optical spectra of large molecules in solution including the temperature and Herzberg-Teller effects.
2007 F., Santoro; Barone, Vincenzo; R., Improta; A., Lami
Vibrationally resolved two-photon circular dichroism spectra of (R)-(+)-3-methylcyclopentanone
2009 Na, Lin; F., Santoro; A., Rizzo; Y., Luo; X., Zhao; Barone, Vincenzo
Vibronic Coupling Dominates the Electronic Circular Dichroism of the Benzene Chromophore1Lbband
2013 Gennaro, Pescitelli; Barone, Vincenzo; Lorenzo Di, Bari; Antonio, Rizzo; Fabrizio, Santoro
Vibronic coupling investigation to compute phosphorescence spectra of Pt(II) complexes
2015 Vazart, F.; Latouche, C.; Bloino, J.; Barone, V.
Vibronic Effects on Rates of Excitation Energy Transfer and Their Temperature Dependence
2016 Banerjee, S.; Baiardi, A.; Bloino, J.; Barone, V.
Vibronic Model for the Quantum Dynamical Study of the Competition between Bright and Charge-Transfer Excited States in Single-Strand Polynucleotides: the Adenine Dimer Case
2009 R., Improta; F., Santoro; Barone, Vincenzo; A., Lami
Vibronically Resolved Electronic Circular Dichroism Spectra of (R)-(+)-3-Methylcyclopentanone: A Theoretical Study
2008 N., Lin; F., Santoro; X., Zhao; A., Rizzo; Barone, Vincenzo
VIBROROTATIONAL ANALYSIS OF SI2C FROM AN ABINITIO POTENTIAL-ENERGY SURFACE - A COMPARISON BETWEEN PERTURBATIVE AND VARIATIONAL-METHODS
1992 Barone, Vincenzo; Jensen, P; Minichino, C.
Virtual eyes for technology and cultural heritage: towards computational strategy for new and old indigo-based dyes
2015 Barone, Vincenzo; Biczysko, Malgorzata; Latouche, Camille; Pasti, Andrea
The virtual multifrequency spectrometer: a new paradigm for spectroscopy
2016 Barone, Vincenzo
Virtual Reality bridge between Chemistry and Cultural Heritage: the "Sala degli Stemmi" Case Study
2020 Martino, M; Lazzari, F; Tasinato, N; Barone, V
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