BLOINO, JULIEN

BLOINO, JULIEN  

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Risultati 1 - 20 di 24 (tempo di esecuzione: 0.019 secondi).
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A fully automated implementation of VPT2 Infrared intensities 1-gen-2010 V., Barone; Bloino, Julien; C. A., Guido; F., Lipparini
Accurate ground and excited state studies for molecular systems of biological interest. 1-gen-2007 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
Approcci computazionali integrati per simulazioni di processi molecolari. Sviluppi ed applicazioni per lo studio di sistemi molecolari di interesse biologico 1-gen-2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Crescenzi, Orlando; 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 1-gen-2008 F., Santoro; A., Lami; R., Improta; Bloino, Julien; Barone, Vincenzo
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution 1-gen-2007 F., Santoro; R., Improta; A., Lami; Bloino, Julien; 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-gen-2007 F., Santoro; R., Improta; A., Lami; Bloino, Julien; Barone, Vincenzo
First principle simulation of vibrationally resolved A2B1 X~2A1 electronic transition of phenyl radical 1-gen-2009 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; V., Barone
First principle simulation of vibrationally resolvedoptical spectra 1-gen-2009 Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA; Barone, Vincenzo
Fully integrated approach to compute vibrationally resolved optical spectra: from small molecules to macrosystems 1-gen-2009 V., Barone; Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA; F., Santoro
Fully integrated approach to compute vibrationally resolvedoptical spectra: from small molecules to macrosystems 1-gen-2009 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; P., Panek; F., Santoro; Barone, Vincenzo
General approach to compute vibrationally resolved one-photon electronic spectra 1-gen-2010 Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA; F., Santoro; V., Barone
General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra 1-gen-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-gen-2010 Biczysko, MALGORZATA AGNIESZKA; P., Panek; G., Scalmani; Bloino, Julien; V., Barone
Integrated approaches to compute optical spectra for molecular systems of biological interest 1-gen-2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
Integrated computational approach to vibrationally resolved electronic spectra: Anisole as a test case 1-gen-2008 Bloino, Julien; Biczysko, MALGORZATA AGNIESZKA; Crescenzi, Orlando; Barone, Vincenzo
Integrated computational approaches for ground and excited state studies for molecular systems of biological interest 1-gen-2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
Integrated experimental and computational spectroscopy study on π-stacking interaction: the anisole dimer 1-gen-2010 N., Schiccheri; M., Pasquini; G., Piani; G., Pietraperzia; M., Becucci; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; V., Barone
Modeling Optical Properties of Fluorophores embedded in different Environments 1-gen-2010 A., Pedone; Bloino, Julien; S., Monti; G., Prampolini; V., Barone
Non-covalent interactions in the gas phase: new insights from experimental and computational spectroscopy 1-gen-2010 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; V., Barone
Prediction of Molecular Properties for Systems of Biological Interests 1-gen-2007 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele