Works matching AU Bloino, Julien
Results: 18
Combination of Resonance and Non‐Resonance Chiral Raman Scattering in a Cobalt(III) Complex.
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- Angewandte Chemie, 2023, v. 135, n. 45, p. 1, doi. 10.1002/ange.202312521
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- Article
Ultraviolet resonance Raman spectroscopy of anthracene: Experiment and theory.
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- Journal of Raman Spectroscopy, 2021, v. 52, n. 12, p. 2292, doi. 10.1002/jrs.6223
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Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach.
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- Molecular Physics, 2013, v. 111, n. 9-11, p. 1345, doi. 10.1080/00268976.2013.796413
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A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3355, doi. 10.1002/cphc.201402300
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Mid‐IR and CH stretching vibrational circular dichroism spectroscopy to distinguish various sources of chirality: The case of quinophaneoxazoline based ruthenium(II) complexes.
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- Chirality, 2024, v. 36, n. 3, p. 1, doi. 10.1002/chir.23649
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Computational simulation of vibrationally resolved spectra for spin‐forbidden transitions.
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- Chirality, 2018, v. 30, n. 7, p. 850, doi. 10.1002/chir.22864
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New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental Effects on Chiroptical Spectra.
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- Chirality, 2014, v. 26, n. 9, p. 228, doi. 10.1002/chir.22325
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Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine.
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- Chirality, 2013, v. 25, n. 11, p. 701, doi. 10.1002/chir.22200
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Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 4, p. 1, doi. 10.1007/s00214-012-1201-3
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Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview.
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- International Journal of Quantum Chemistry, 2016, v. 116, n. 21, p. 1543, doi. 10.1002/qua.25188
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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.
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 15, p. 948, doi. 10.1002/qua.24931
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Toward anharmonic computations of vibrational spectra for large molecular systems.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 9, p. 2185, doi. 10.1002/qua.23224
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CPL of Mellein and Related Natural Compounds: Analysis of the ESIPT Phenomenon.
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- ChemPhysChem, 2024, v. 25, n. 19, p. 1, doi. 10.1002/cphc.202400543
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Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers.
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- Journal of Computational Chemistry, 2024, v. 45, n. 21, p. 1846, doi. 10.1002/jcc.27377
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Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields.
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- ChemPlusChem, 2014, v. 79, n. 3, p. 366, doi. 10.1002/cplu.201300413
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- Article
Combination of Resonance and Non‐Resonance Chiral Raman Scattering in a Cobalt(III) Complex.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 45, p. 1, doi. 10.1002/anie.202312521
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- Article
Cover Image, Volume 8, Issue 3.
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- WIREs: Computational Molecular Science, 2018, v. 8, n. 3, p. 1, doi. 10.1002/wcms.1368
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Computational challenges in Astrochemistry.
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- WIREs: Computational Molecular Science, 2018, v. 8, n. 3, p. 1, doi. 10.1002/wcms.1349
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