BLOINO, JULIEN ROLAND MICHEL
BLOINO, JULIEN ROLAND MICHEL
Classe di Scienze
A fully automated implementation of VPT2 infrared intensities
2010 Barone, Vincenzo; Bloino, J.; Guido, C.; Lipparini, F.
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects
2014 Baiardi, A.; Bloino, J.; Barone, V.
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations
2019 Nandi, Surajit; Calderini, D.; Bloino, J.; Rampino, S.; Barone, V.
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a
2014 Barone, V.; Biczysko, M.; Borkowska-Panek, M.; Bloino, J.
A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects
2014 Egidi, Franco; Bloino, Julien; Barone, Vincenzo; Cappelli, Chiara
A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies
2012 Bloino, J.; Barone, Vincenzo
A VPT2 route to near-infrared spectroscopy: The role of mechanical and electrical anharmonicity
2015 Bloino, Julien
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
Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide
2022 Bourgalais, Jérémy; Jiang, Zhongming; Bloino, Julien; Herbinet, Olivier; Carstensen, Hans-Heinrich; Garcia, Gustavo Adolfo; Arnoux, Pilippe; Tran, Luc Sy; Vanhove, Guillaume; Nahon, Laurent; Battin-Leclerc, Frédérique; Hochlaf, Majdi
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy
2019 Puzzarini, C.; Bloino, J.; Tasinato, N.; Barone, V.
Accuracy and Reliability in the Simulation of Vibrational Spectra: A Comprehensive Benchmark of Energies and Intensities Issuing From Generalized Vibrational Perturbation Theory to Second Order (GVPT2)
2021 Yang, Qin; Mendolicchio, Marco; Barone, Vincenzo; Bloino, Julien
Accurate ground and excited state studies for molecular systems of biological interest.
2007 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; M., Pavone; Barone, Vincenzo
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane
2014 Barone, Vincenzo; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Puzzarini, Cristina
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection
2022 Ceselin, Giorgia; Salta, Zoi; Bloino, Julien; Tasinato, Nicola; Barone, Vincenzo
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states
2018 Degli Esposti, C.; Dore, L.; Puzzarini, C.; Biczysko, M.; Bloino, J.; Bizzocchi, L.; Lattanzi, V.; Grabow, J. -U.
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach
2015 Baiardi, A.; Bloino, J.; Barone, V.
ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN'S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS
2014 Puzzarini, Cristina; Biczysko, Malgorzata; Bloino, Julien; Barone, Vincenzo
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical
2013 Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Egidi, Franco; Puzzarini, Cristina
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study
2017 Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, MALGORZATA AGNIESZKA; Puzzarini, Cristina
Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3]2+ as a case study
2014 Baiardi, A.; Latouche, C.; Bloino, J.; Barone, V.