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		Systematic Theoretical Investigation on the Light Emitter of Firefly S.-F. Chen , Y.-J. Liu , Isabelle Navizet , N. Ferre , W.-H. Fang , et al. Journal of Chemical Theory and Computation, 2011, 7 (3), pp.798--803. ⟨10.1021/ct200045q⟩ Article dans une revue hal-00692848v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Manifestation of a conical intersection in a thermal biomolecular process: The case of rod visual pigments Massimo Olivucci , Samer Gozem , Igor Schapiro , Nicolas Ferré Abstracts of Papers of the American Chemical Society, 2012, 244 Article dans une revue hal-01415185v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		WARNING: The light-emitting molecular structures responsible for the chemiluminescence and fluorescence phenomena are not necessarily the same! Daniel Roca-Sanjuán , Mickaël G. Delcey , Isabelle Navizet , Nicolas Ferré , Ya-Jun Liu , et al. Luminescence, 2012, 27 (2), pp.155--156 Article dans une revue hal-01415187v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Using trajectories to probe the molecular mechanism of ultrafast biological photoisomerization and internal conversion Igor Schapiro , Mikhail Nikolaevich Ryazantsev , Luis Manuel Frutos , Nicolas Ferré , Roland Lindh , et al. Abstracts of Papers of the American Chemical Society, 2011, 242 Article dans une revue hal-01415203v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hybride QM/MM Simulations of the Obelin Bioluminescence and Fluorescence Reveal an Unexpected Light Emitter S.-F. Chen , Isabelle Navizet , R. Lindh , Y.-J. Liu , N. Ferré Journal of Physical Chemistry B, 2014, 118 (11), pp.2896-2903. ⟨10.1021/jp412198w⟩ Article dans une revue hal-01067667v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The Molecular Mechanism of Thermal Noise in Rod Photoreceptors Samer Gozem , Igor Schapiro , Nicolas Ferré , Massimo Olivucci Science, 2012, 337 (6099), pp.1225--1228. ⟨10.1126/science.1220461⟩ Article dans une revue hal-01415190v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory Emmanuel Giner , Lorenzo Tenti , Celestino Angeli , Nicolas Ferré Journal of Chemical Theory and Computation, 2017, 13 (2), pp.475 - 487. ⟨10.1021/acs.jctc.6b00827⟩ Article dans une revue hal-01774487v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photophysics of Acetophenone Interacting with DNA: Why the Road to Photosensitization is Open Miquel Huix-Rotllant , Elise Dumont , Nicolas Ferré , Antonio Monari Journal of Photochemistry and Photobiology, 2015, 91 (2), pp.323-330. ⟨10.1111/php.12395⟩ Article dans une revue istex hal-01234430v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Color-Modulation of firefly luciferin-luciferase system investigated by theoretical approach Isabelle Navizet , Y.-J. Liu , N. Ferré , R. Lindh 16th International Symposium on Bioluminescence and Chemiluminescence (ISBC), Apr 2010, Lyon, France. pp.1 Communication dans un congrès hal-00777989v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Automatic Rhodopsin Modeling with Multiple Protonation Microstates Gustavo Cárdenas , Vincent Ledentu , Miquel Huix-Rotllant , Massimo Olivucci , Nicolas Ferré Journal of Physical Chemistry A, 2023, 127 (44), pp.9365-9380. ⟨10.1021/acs.jpca.3c05413⟩ Article dans une revue hal-04291329v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical Approach for Investigating Color-Modulation in Bioluminescence Isabelle Navizet , Y.-J. Liu , N. Ferré , R. Lindh 40th South African Chemical Institute National Convention SACI2011 and Federation of African Chemical Societies meeting, Jan 2011, Johannesburg, South Africa Communication dans un congrès hal-00777999v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The Ultrafast Photoisomerizations of Rhodopsin and Bathorhodopsin Are Modulated by Bond Length Alternation and HOOP Driven Electronic Effects Igor Schapiro , Mikhail Nikolaevich Ryazantsev , Luis Manuel Frutos , Nicolas Ferré , Roland Lindh , et al. Journal of the American Chemical Society, 2011, 133 (10), pp.3354--3364. ⟨10.1021/ja1056196⟩ Article dans une revue hal-01415202v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid waters Celine Houriez , Michel Masella , Nicolas Ferré Journal of Chemical Physics, 2010, 133 (12), pp.124508. ⟨10.1063/1.3478999⟩ Article dans une revue hal-01460228v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical study of the photochemical generation of triplet acetophenone Miquel Huix-Rotllant , Didier Siri , Nicolas Ferré Physical Chemistry Chemical Physics, 2013, 15 (44), pp.19293--19300. ⟨10.1039/c3cp52703d⟩ Article dans une revue hal-01415176v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Chemi- and Bioluminescence of Cyclic Peroxides Morgane Vacher , Ignacio Fdez. Galván , Bo-Wen Ding , Stefan Schramm , Romain Berraud-Pache , et al. Chemical Reviews, 2018, ⟨10.1021/acs.chemrev.7b00649⟩ Article dans une revue hal-01769524v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Mechanism of the initial conformational transition of a photomodulable peptide. T. Andruniow , S. Fantatacci , De Angelis F. , N. Ferré , M. Olivucci Angewandte Chemie, 2005, 44, pp.6077-6081 Article dans une revue hal-00017175v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modern quantum chemistry with [Open]Molcas Francesco Aquilante , Jochen Autschbach , Alberto Baiardi , Stefano Battaglia , Veniamin Borin , et al. Journal of Chemical Physics, 2020, 152 (21), pp.214117. ⟨10.1063/5.0004835⟩ Article dans une revue hal-02814121v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Towards the engineering of a photon-only two-stroke rotary molecular motor Michael Filatov , Marco Paolino , Robin Pierron , Andrea Cappelli , Gianluca Giorgi , et al. Nature Communications, 2022, 13, pp.6433. ⟨10.1038/s41467-022-33695-x⟩ Article dans une revue hal-03834058v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Understanding Bacterial Bioluminescence: A Theoretical Study of the Entire Process, from Reduced Flavin to Light Emission Cong Hou , Ya-Jun Liu , Nicolas Ferré , Wei-Hai Fang Chemistry - A European Journal, 2014, 20 (26), pp.7979--7986. ⟨10.1002/chem.201400253⟩ Article dans une revue istex hal-01415172v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modelling of firefly light emission system. Isabelle Navizet , Y.-J. Liu , S.-F. Chen , H.-Y. Xiao , N. Ferré , et al. Workshop Modelling of biologically-inspired photoacitve systems, Mar 2011, Marseille, France. pp.1 Communication dans un congrès hal-00778006v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Additive Decomposition of the Physical Components of the Magnetic Coupling from Broken Symmetry Density Functional Theory Calculations Esther Coulaud , Jean-Paul Malrieu , Nathalie Guihéry , Nicolas Ferré Journal of Chemical Theory and Computation, 2013, 9 (8), pp.3429-3436. ⟨10.1021/ct400305h⟩ Article dans une revue hal-00864924v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum chemical modeling of rhodopsin mutants displaying switchable colors Federico Melaccio , Nicolas Ferré , Massimo Olivucci Physical Chemistry Chemical Physics, 2012, 14 (36), pp.12485--12495. ⟨10.1039/c2cp40940b⟩ Article dans une revue hal-01415189v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular mechanism of thermal noise in rod photoreceptors: When the ultraslow competes with the ultrafast Samer Gozem , Igor Schapiro , Nicolas Ferré , Massimo Olivucci Abstracts of Papers of the American Chemical Society, 2014, 247 Article dans une revue hal-01415163v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		An Effective Procedure for Analyzing Molecular Vibrations in Terms of Local Fragment Modes Miquel Huix-Rotllant , Nicolas Ferré Journal of Chemical Theory and Computation, 2016, 12 (10), pp.4768 - 4777. ⟨10.1021/acs.jctc.6b00514⟩ Article dans une revue hal-01409046v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulations Nicolas Ferré , Nathalie Guihéry , Jean-Paul Malrieu Physical Chemistry Chemical Physics, 2015, 17 (22), pp.14375-14382. ⟨10.1039/C4CP05531D⟩ Article dans une revue hal-01170712v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Frustration, ring exchange, and the absence of long-range order in EtMe 3 Sb [ Pd ( dmit ) 2 ] 2 : From first principles to many-body theory E. Kenny , G. David , Nicolas Ferré , A. Jacko , B. Powell 2023 Pré-publication, Document de travail hal-02546774v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Toward a computational photobiology A. Sinicropi , T. Andruniow , De Vico L. , N. Ferré , M. Olivucci Pure and Applied Chemistry, 2005, 77, pp.977-993 Article dans une revue hal-00017184v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Analysis of the Magnetic Exchange Interaction in Halide-Bridged Cu(II) Binuclear Complexes: Deciphering the Paths Boris Le Guennic , Nicolas Ferré Current Inorganic Chemistry , 2014, 3 (3), pp.235-241. ⟨10.2174/1877944103666140110225547⟩ Article dans une revue hal-01088725v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome protein Karno Schwinn , Nicolas Ferré , Miquel Huix-Rotllant Physical Chemistry Chemical Physics, 2020, 22, pp.12447-12455. ⟨10.1039/D0CP01714K⟩ Article dans une revue hal-02722600v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds? Grégoire David , Nathalie Guihéry , Nicolas Ferré Journal of Chemical Theory and Computation, 2017, 13 (12), pp.6253-6265. ⟨10.1021/acs.jctc.7b00976⟩ Article dans une revue hal-01684116v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Systematic Theoretical Investigation on the Light Emitter of Firefly

Manifestation of a conical intersection in a thermal biomolecular process: The case of rod visual pigments

WARNING: The light-emitting molecular structures responsible for the chemiluminescence and fluorescence phenomena are not necessarily the same!

Using trajectories to probe the molecular mechanism of ultrafast biological photoisomerization and internal conversion

Hybride QM/MM Simulations of the Obelin Bioluminescence and Fluorescence Reveal an Unexpected Light Emitter

The Molecular Mechanism of Thermal Noise in Rod Photoreceptors

Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory

Photophysics of Acetophenone Interacting with DNA: Why the Road to Photosensitization is Open

Color-Modulation of firefly luciferin-luciferase system investigated by theoretical approach

Automatic Rhodopsin Modeling with Multiple Protonation Microstates

Theoretical Approach for Investigating Color-Modulation in Bioluminescence

The Ultrafast Photoisomerizations of Rhodopsin and Bathorhodopsin Are Modulated by Bond Length Alternation and HOOP Driven Electronic Effects

Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid waters

Theoretical study of the photochemical generation of triplet acetophenone

Chemi- and Bioluminescence of Cyclic Peroxides

Mechanism of the initial conformational transition of a photomodulable peptide.

Modern quantum chemistry with [Open]Molcas

Towards the engineering of a photon-only two-stroke rotary molecular motor

Understanding Bacterial Bioluminescence: A Theoretical Study of the Entire Process, from Reduced Flavin to Light Emission

Modelling of firefly light emission system.

Additive Decomposition of the Physical Components of the Magnetic Coupling from Broken Symmetry Density Functional Theory Calculations

Quantum chemical modeling of rhodopsin mutants displaying switchable colors

Molecular mechanism of thermal noise in rod photoreceptors: When the ultraslow competes with the ultrafast

An Effective Procedure for Analyzing Molecular Vibrations in Terms of Local Fragment Modes

Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulations

Frustration, ring exchange, and the absence of long-range order in EtMe 3 Sb [ Pd ( dmit ) 2 ] 2 : From first principles to many-body theory

Toward a computational photobiology

Analysis of the Magnetic Exchange Interaction in Halide-Bridged Cu(II) Binuclear Complexes: Deciphering the Paths

UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome protein

What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?