Sfoglia per Autore
Erratum: "Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution" [J. Chem. Phys. 126, 084509 (2007)]
2007 Santoro, F.; Improta, R.; Lami, A.; Bloino, J.; Barone, Vincenzo
Accurate ground and excited state studies for molecular systems of biological interest.
2007 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; M., Pavone; Barone, Vincenzo
Prediction of Molecular Properties for Systems of Biological Interests
2007 Barone, Vincenzo; Biczysko, M.; Bloino, J.; Pavone, M.
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution
2007 Santoro, F.; Improta, R.; Lami, A.; Bloino, J.; Barone, Vincenzo
Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case
2008 Bloino, J.; Biczysko, M.; Crescenzi, O.; Barone, Vincenzo
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin as a case study
2008 Santoro, F.; Lami, A.; Improta, R.; Bloino, J.; Barone, Vincenzo
High Resolution Electronic Spectroscopy of the Anisole Dimer in a Molecular Beam: Equilibrium Structure of a Complex Stabilized by the Stacking Interaction
2009 Pietraperzia, G.; Pasquini, M.; Schiccheri, N.; Piani, G.; Becucci, M.; Castellucci, E.; Biczysko, M.; Bloino, J.; Barone, Vincenzo
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
2009 Barone, Vincenzo; Bloino, J.; Biczysko, M.; Santoro, F.
First principle simulation of vibrationally resolved A2 B1←X2 A1 electronic transition of phenyl radical
2009 Biczysko, M.; Bloino, J.; Barone, Vincenzo
A fully automated implementation of VPT2 infrared intensities
2010 Barone, Vincenzo; Bloino, J.; Guido, C.; Lipparini, F.
Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution
2010 Barone, Vincenzo; Bloino, J.; Monti, S.; Pedone, A.; Prampolini, G.
General approach to compute vibrationally resolved one-photon electronic spectra
2010 Bloino, J.; Biczysko, M.; Santoro, F.; Barone, Vincenzo
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical
2010 Barone, Vincenzo; Bloino, J.; Biczysko, M.
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies
2010 Biczysko, M.; Scalmani, G.; Bloino, J.; Barone, Vincenzo
Absorption and Emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study
2010 Pedone, A.; Bloino, J.; Monti, S.; Prampolini, G.; Barone, Vincenzo
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies
2011 Egidi, Franco; Bloino, J; Cappelli, Chiara
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach
2011 Barone, Vincenzo; Bloino, J.; Monti, S.; Pedone, A.; Prampolini, G.
Erratum: “Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: Reaction field, cavity field and nonequilibrium effects” [J. Chem. Phys. 135, 104505 (2011)]
2011 Cappelli, Chiara; Lipparini, F; Bloino, J; Barone, Vincenzo
Reliable Structural, Thermodynamic, and Spectroscopic Properties of Organic Molecules Adsorbed on Silicon Surfaces from Computational Modeling: the Case of Glycine@Si(100)
2011 Carnimeo, I.; Biczysko, M.; Bloino, J.; Barone, Vincenzo
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects
2011 Barone, Vincenzo; Bloino, Julien Roland Michel; Lipparini, Filippo; Cappelli, Chiara
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