Pauline Colinet

17
Documents
Affiliation actuelle
  • Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM)
Identifiants chercheurs
Contact

Publications

Publications

The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting

Frank Neese , Pauline Colinet , Bernardo Desouza , Benjamin Helmich-Paris , Frank Wennmohs et al.

Journal of Physical Chemistry A, 2025, 129 (10), pp.2618-2637. ⟨10.1021/acs.jpca.4c07415⟩

Article dans une revue hal-05137513v1
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Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method

Pauline Colinet , Frank Neese , Benjamin Helmich‐paris

Journal of Computational Chemistry, 2024, 46 (1), ⟨10.1002/jcc.27532⟩

Article dans une revue hal-05137522v1
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New shades of photochromism – yellow sodalites for the detection of blue light

Hannah Byron , Teppo Kreivilä , Pauline Colinet , Tangui Le Bahers , Mika Lastusaari

Journal of Materials Chemistry C, 2023, 11 (9), pp.3360-3374. ⟨10.1039/D3TC00116D⟩

Article dans une revue hal-04281951v1

Highly Tuneable Photochromic Sodalites for Dosimetry, Security Marking and Imaging

Hannah Charlotte Byron , Claudia Swain , Pyry Paturi , Pauline Colinet , Raphaël Rullan et al.

Advanced Functional Materials, 2023, 33 (42), pp.6264-6285. ⟨10.1002/adfm.202303398⟩

Article dans une revue hal-04281956v1
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Sensitive 1,1-dicyanovinyl push-pull dye for primary amine sensing in solution by fluorescence

Lulu Bu , Maxime Rémond , Pauline Colinet , Erwann Jeanneau , Tangui Le Bahers et al.

Dyes and Pigments, 2022, 202, pp.110258. ⟨10.1016/j.dyepig.2022.110258⟩

Article dans une revue hal-03795976v1
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The structural origin of the efficient photochromism in natural minerals

Pauline Colinet , Hannah Byron , Sami Vuori , Juha-Pekka Lehtiö , Pekka Laukkanen et al.

Proceedings of the National Academy of Sciences of the United States of America, 2022, 119 (23), ⟨10.1073/pnas.2202487119⟩

Article dans une revue hal-03821181v1

Detection of X‐Ray Doses with Color‐Changing Hackmanites: Mechanism and Application

Sami Vuori , Pauline Colinet , Isabella Norrbo , Ralph Steininger , Timo Saarinen et al.

Advanced Optical Materials, 2021, 9 (20), pp.2100762. ⟨10.1002/adom.202100762⟩

Article dans une revue hal-03821209v1
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Phosphine-based push-pull AIE fluorophores: Synthesis, photophysical properties, and TD-DFT studies

Maxime Rémond , Pauline Colinet , Erwan Jeanneau , Tangui Le Bahers , Chantal Andraud et al.

Dyes and Pigments, 2021, 193 (1), pp.109485. ⟨10.1016/j.dyepig.2021.109485⟩

Article dans une revue hal-03821202v1
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Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization

Antton Curutchet , Pauline Colinet , Carine Michel , Stephan N. Steinmann , Tangui Le Bahers

Physical Chemistry Chemical Physics, 2020, 22 (13), pp.7031-7038. ⟨10.1039/D0CP00281J⟩

Article dans une revue hal-02519600v1

Tenebrescent minerals by in silico modelling.

Pauline Colinet , Tangui Le Bahers

Journée DCP 2024, Feb 2024, Paris, France

Communication dans un congrès hal-04738450v1

In silico modelling of photochromic minerals through DFT and TD‐DFT calculations.

Pauline Colinet , Tangui Le Bahers

Webinaire du Réseaux Français de Chimie Théorique, Jun 2021, Nantes, France

Communication dans un congrès hal-04738442v1

Simulation of Absorption and Fluorescence Spectra of Coloured Centers in Photochromic Sodalites from TD‐DFT Calculations.

Pauline Colinet , Tangui Le Bahers

JTMS 2019 : Journées « Théorie, Modélisation et Simulation, Jun 2019, Paris, France

Communication dans un congrès hal-04737988v1

Understanding the Photochemic Mechanism of Sulfur‐Doped Sodalites from TD‐DFT and post‐HF Calculations.

Pauline Colinet , Tangui Le Bahers

18th International Conference on Density‐Functional Theory and its Applications, Jul 2019, Alicante (SPAIN), Spain

Communication dans un congrès hal-04738433v1

Revealing the Photochromism Mechanism of Sulphur-Doped Sodalites using DFT, TD-DFT and SAC-CI methods.

Tangui Le Bahers , Curutchet Antton , Pauline Colinet , Isabella Norrbo , Mika Lastusaari

International Conference on Molecular Simulation 2019, Nov 2019, Jeju, South Korea

Communication dans un congrès hal-02357972v1

On the Understanding of the Photochemic Mechanism of Sulfur‐Doped Sodalites from TD‐DFT and post‐HF Calculations.

Pauline Colinet , Tangui Le Bahers

5th International Workshops on Nano and Bio‐Photonics, Sep 2019, Saint Nectaire, France

Communication dans un congrès hal-04738088v1