BLOINO, JULIEN ROLAND MICHEL

BLOINO, JULIEN ROLAND MICHEL  

Classe di Scienze  

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Risultati 1 - 20 di 92 (tempo di esecuzione: 0.011 secondi).
Titolo Data di pubblicazione Autori Tipo File
A fully automated implementation of VPT2 infrared intensities 1-gen-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 1-gen-2014 Baiardi A.Bloino J.Barone V. 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 1-gen-2014 EGIDI, FRANCOJulien BloinoBARONE, Vincenzo + 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 1-gen-2012 Bloino J.BARONE, Vincenzo 1.1 Articolo in rivista
Absorption and Emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 1-gen-2010 J. BloinoBARONE, Vincenzo + 1.1 Articolo in rivista
Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide 1-gen-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 1-gen-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) 1-gen-2021 Yang, QinMendolicchio, MarcoBarone, VincenzoBloino, Julien 1.1 Articolo in rivista
Accurate ground and excited state studies for molecular systems of biological interest. 1-gen-2007 J. BloinoBARONE, Vincenzo + 4.1 Contributo in Atti di convegno
Accurate ground and excited state studies for molecular systems of biological interest. 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-2014 Baiardi A.Latouche C.Bloino J.Barone V. 1.1 Articolo in rivista
Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview 1-gen-2016 Bloino, Julien + 1.1 Articolo in rivista
Anharmonicity Effects in the Vibrational CD Spectra of Propylene Oxide 1-gen-2013 Julien BloinoBARONE, Vincenzo + 1.1 Articolo in rivista