BLOINO, JULIEN ROLAND MICHEL

BLOINO, JULIEN ROLAND MICHEL  

Classe di Scienze  

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Risultati 1 - 20 di 103 (tempo di esecuzione: 0.037 secondi).
Titolo Data di pubblicazione Autori Tipo File
A fully automated implementation of VPT2 infrared intensities 2010 BARONE, VincenzoJ. Bloino + 1.1 Articolo in rivista
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 2014 Baiardi A.Bloino J.Barone V. 1.1 Articolo in rivista
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 2019 NANDI, SURAJITCalderini D.Bloino J.Rampino S.Barone V. 2.1 Contributo in volume (Capitolo o Saggio)
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.Bloino J. + 1.1 Articolo in rivista
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, FRANCOJulien BloinoBARONE, VincenzoChiara Cappelli 1.1 Articolo in rivista
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 1.1 Articolo in rivista
A VPT2 route to near-infrared spectroscopy: The role of mechanical and electrical anharmonicity 2015 Bloino, Julien 1.1 Articolo in rivista
Absorption and Emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 2010 J. BloinoBARONE, Vincenzo + 1.1 Articolo in rivista
Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide 2022 Jiang, ZhongmingBloino, Julien + 1.1 Articolo in rivista
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. 1.1 Articolo in rivista
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, QinMendolicchio, MarcoBarone, VincenzoBloino, Julien 1.1 Articolo in rivista
Accurate ground and excited state studies for molecular systems of biological interest. 2007 BICZYSKO, MALGORZATA AGNIESZKABLOINO, JULIENBARONE, Vincenzo + 4.1 Contributo in Atti di convegno
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 2014 BARONE, VincenzoBICZYSKO, MALGORZATA AGNIESZKABLOINO, JULIENPUZZARINI, Cristina 1.1 Articolo in rivista
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 2022 Giorgia CeselinZoi SaltaJulien BloinoNicola TasinatoVincenzo Barone 1.1 Articolo in rivista
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states 2018 Puzzarini C.Biczysko M.Bloino J.Lattanzi V.Grabow J. -U. + 1.1 Articolo in rivista
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 2015 Bloino J.Barone V. + 1.1 Articolo in rivista
ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN'S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS 2014 Julien BloinoBARONE, Vincenzo + 1.1 Articolo in rivista
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 2013 Barone, VincenzoBiczysko, MalgorzataBloino, JulienEgidi, FrancoPuzzarini, Cristina 1.1 Articolo in rivista
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study 2017 BLOINO, JULIENTASINATO, NicolaCARNIMEO, ivanBICZYSKO, MALGORZATA AGNIESZKAPUZZARINI, Cristina + 1.1 Articolo in rivista
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. 1.1 Articolo in rivista