Works by Bloino, Julien

Results: 19

Combination of Resonance and Non‐Resonance Chiral Raman Scattering in a Cobalt(III) Complex.

Published in:

Angewandte Chemie, 2023, v. 135, n. 45, p. 1, doi. 10.1002/ange.202312521

By:

Yang, Qin;
Bloino, Julien;
Šestáková, Hana;
Šebestík, Jaroslav;
Kessler, Jiří;
Hudecová, Jana;
Kapitán, Josef;
Bouř, Petr

Publication type:

Article

Cover Image, Volume 8, Issue 3.

Published in:

WIREs: Computational Molecular Science, 2018, v. 8, n. 3, p. 1, doi. 10.1002/wcms.1368

By:

Biczysko, Malgorzata;
Bloino, Julien;
Puzzarini, Cristina

Publication type:

Article

Computational challenges in Astrochemistry.

Published in:

WIREs: Computational Molecular Science, 2018, v. 8, n. 3, p. 1, doi. 10.1002/wcms.1349

By:

Biczysko, Malgorzata;
Bloino, Julien;
Puzzarini, Cristina

Publication type:

Article

Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 21, p. 1846, doi. 10.1002/jcc.27377

By:

Xu, Ruiqin;
Jiang, Zhongming;
Yang, Qin;
Bloino, Julien;
Biczysko, Malgorzata

Publication type:

Article

A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a.

Published in:

ChemPhysChem, 2014, v. 15, n. 15, p. 3355, doi. 10.1002/cphc.201402300

By:

Barone, Vincenzo;
Biczysko, Malgorzata;
Borkowska‐Panek, Monika;
Bloino, Julien

Publication type:

Article

Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach.

Published in:

Molecular Physics, 2013, v. 111, n. 9-11, p. 1345, doi. 10.1080/00268976.2013.796413

By:

Egidi, Franco;
Bloino, Julien;
Cappelli, Chiara;
Barone, Vincenzo;
Tomasi, Jacopo

Publication type:

Article

Combination of Resonance and Non‐Resonance Chiral Raman Scattering in a Cobalt(III) Complex.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 45, p. 1, doi. 10.1002/anie.202312521

By:

Yang, Qin;
Bloino, Julien;
Šestáková, Hana;
Šebestík, Jaroslav;
Kessler, Jiří;
Hudecová, Jana;
Kapitán, Josef;
Bouř, Petr

Publication type:

Article

CPL of Mellein and Related Natural Compounds: Analysis of the ESIPT Phenomenon.

Published in:

ChemPhysChem, 2024, v. 25, n. 19, p. 1, doi. 10.1002/cphc.202400543

By:

Mazzeo, Giuseppe;
Fusè, Marco;
Bloino, Julien;
Evidente, Antonio;
Abbate, Sergio;
Longhi, Giovanna

Publication type:

Article

Mid‐IR and CH stretching vibrational circular dichroism spectroscopy to distinguish various sources of chirality: The case of quinophaneoxazoline based ruthenium(II) complexes.

Published in:

Chirality, 2024, v. 36, n. 3, p. 1, doi. 10.1002/chir.23649

By:

Fusè, Marco;
Mazzeo, Giuseppe;
Abbate, Sergio;
Ruzziconi, Renzo;
Bloino, Julien;
Longhi, Giovanna

Publication type:

Article

Computational simulation of vibrationally resolved spectra for spin‐forbidden transitions.

Published in:

Chirality, 2018, v. 30, n. 7, p. 850, doi. 10.1002/chir.22864

By:

Egidi, Franco;
Fusè, Marco;
Baiardi, Alberto;
Bloino, Julien;
Li, Xiaosong;
Barone, Vincenzo

Publication type:

Article

New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental Effects on Chiroptical Spectra.

Published in:

Chirality, 2014, v. 26, n. 9, p. 228, doi. 10.1002/chir.22325

By:

Barone, Vincenzo;
Baiardi, Alberto;
Bloino, Julien

Publication type:

Article

Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine.

Published in:

Chirality, 2013, v. 25, n. 11, p. 701, doi. 10.1002/chir.22200

By:

Egidi, Franco;
Bloino, Julien;
Cappelli, Chiara;
Barone, Vincenzo

Publication type:

Article

Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1543, doi. 10.1002/qua.25188

By:

Bloino, Julien;
Baiardi, Alberto;
Biczysko, Malgorzata

Publication type:

Article

Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields.

Published in:

ChemPlusChem, 2014, v. 79, n. 3, p. 366, doi. 10.1002/cplu.201300413

By:

Lessi, Marco;
Manzini, Chiara;
Minei, Pierpaolo;
Perego, Luca A.;
Bloino, Julien;
Egidi, Franco;
Barone, Vincenzo;
Pucci, Andrea;
Bellina, Fabio

Publication type:

Article

Ultraviolet resonance Raman spectroscopy of anthracene: Experiment and theory.

Published in:

Journal of Raman Spectroscopy, 2021, v. 52, n. 12, p. 2292, doi. 10.1002/jrs.6223

By:

Holtum, Tim;
Bloino, Julien;
Pappas, Christos;
Kumar, Vikas;
Barone, Vincenzo;
Schlücker, Sebastian

Publication type:

Article

Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 4, p. 1, doi. 10.1007/s00214-012-1201-3

By:

Biczysko, Malgorzata;
Bloino, Julien;
Brancato, Giuseppe;
Cacelli, Ivo;
Cappelli, Chiara;
Ferretti, Alessandro;
Lami, Alessandro;
Monti, Susanna;
Pedone, Alfonso;
Prampolini, Giacomo;
Puzzarini, Cristina;
Santoro, Fabrizio;
Trani, Fabio;
Villani, Giovanni

Publication type:

Article

Natural and Magnetic Circular Dichroism From the Infrared to the UV of a Hetero[4]helicene Radical Cation.

Published in:

Chemistry - An Asian Journal, 2025, v. 20, n. 10, p. 1, doi. 10.1002/asia.202401752

By:

Fusè, Marco;
Lupi, Michela;
Machalska, Ewa;
Mazzeo, Giuseppe;
Abbate, Sergio;
Bloino, Julien;
Viglianisi, Caterina;
Menichetti, Stefano;
Longhi, Giovanna

Publication type:

Article

Generalized vibrational perturbation theory for rotovibrational energies of linear, symmetric and asymmetric tops: Theory, approximations, and automated approaches to deal with medium-to-large molecular systems.

Published in:

International Journal of Quantum Chemistry, 2015, v. 115, n. 15, p. 948, doi. 10.1002/qua.24931

By:

Piccardo, Matteo;
Bloino, Julien;
Barone, Vincenzo

Publication type:

Article

Toward anharmonic computations of vibrational spectra for large molecular systems.

Published in:

International Journal of Quantum Chemistry, 2012, v. 112, n. 9, p. 2185, doi. 10.1002/qua.23224

By:

Barone, Vincenzo;
Biczysko, Malgorzata;
Bloino, Julien;
Borkowska‐Panek, Monika;
Carnimeo, Ivan;
Panek, Pawel

Publication type:

Article