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BLOINO, JULIEN

BLOINO, JULIEN  

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Titolo Tipologia Data di pubblicazione Autore(i) File
Non-covalent interactions in the gas phase: new insights from experimental and computational spectroscopy 4.1 Articoli in Atti di convegno 2010 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; V., Barone
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 1.1 Articolo in rivista 2008 F., Santoro; A., Lami; R., Improta; Bloino, Julien; Barone, Vincenzo
Fully integrated approach to compute vibrationally resolved optical spectra: from small molecules to macrosystems 1.1 Articolo in rivista 2009 V., Barone; Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA; F., Santoro
General approach to compute vibrationally resolved one-photon electronic spectra 4.1 Articoli in Atti di convegno 2010 Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA; F., Santoro; V., Barone
The gas phase anisole dimer: a combined high-resolution spectroscopy and computational study of a stacked molecular system 1.1 Articolo in rivista 2009 G., Pietraperzia; M., Pasquini; N., Schiccheri; G., Piani; M., Becucci; E., Castellucci; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; V., Barone
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical 1.1 Articolo in rivista 2010 V., Barone; Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA
Prediction of Molecular Properties for Systems of Biological Interests 4.1 Articoli in Atti di convegno 2007 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele
Integrated computational approaches for ground and excited state studies for molecular systems of biological interest 4.1 Articoli in Atti di convegno 2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
Integrated approaches to compute optical spectra for molecular systems of biological interest 4.1 Articoli in Atti di convegno 2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
Fully integrated approach to compute vibrationally resolvedoptical spectra: from small molecules to macrosystems 4.1 Articoli in Atti di convegno 2009 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; P., Panek; F., Santoro; Barone, Vincenzo
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution 1.1 Articolo in rivista 2007 F., Santoro; R., Improta; A., Lami; Bloino, Julien; Barone, Vincenzo
First principle simulation of vibrationally resolvedoptical spectra 4.1 Articoli in Atti di convegno 2009 Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA; Barone, Vincenzo
Erratum: "Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution" [J. Chem. Phys. 126, 084509 (2007)] 1.7 Commento, erratum, replica e simili 2007 F., Santoro; R., Improta; A., Lami; Bloino, Julien; Barone, Vincenzo
Accurate ground and excited state studies for molecular systems of biological interest. 4.1 Articoli in Atti di convegno 2007 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra 1.1 Articolo in rivista 2010 Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA; F., Santoro; V., Barone
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies 1.1 Articolo in rivista 2010 Biczysko, MALGORZATA AGNIESZKA; P., Panek; G., Scalmani; Bloino, Julien; V., Barone
Integrated experimental and computational spectroscopy study on π-stacking interaction: the anisole dimer 1.1 Articolo in rivista 2010 N., Schiccheri; M., Pasquini; G., Piani; G., Pietraperzia; M., Becucci; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; V., Barone
A fully automated implementation of VPT2 Infrared intensities 1.1 Articolo in rivista 2010 V., Barone; Bloino, Julien; C. A., Guido; F., Lipparini
Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution 1.1 Articolo in rivista 2010 V., Barone; Bloino, Julien; S., Monti; A., Pedone; Prampolini, Giacomo
Toward reliable simulations of electronic spectra for large molecular systems 4.1 Articoli in Atti di convegno 2010 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; V., Barone