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
Journal articles
hal-01415185v1
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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
Journal articles
hal-01415187v1
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The Molecular Mechanism of Thermal Noise in Rod Photoreceptors
Samer Gozem
,
Igor Schapiro
,
Nicolas Ferré
,
Massimo Olivucci
Journal articles
hal-01415190v1
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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
Journal articles
hal-01415203v1
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Photophysics of Acetophenone Interacting with DNA: Why the Road to Photosensitization is Open
Miquel Huix-Rotllant
,
Elise Dumont
,
Nicolas Ferré
,
Antonio Monari
Journal articles
istex
hal-01234430v1
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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 articles
hal-01067667v1
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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 articles
hal-00692848v1
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CASSCF/Amber parameterization of the Lys296-Retinal-Glu113 rhodopsin chromophore-counterion system.
N. Ferré
,
Cembran A. Garavelli M.
,
M. Olivucci
Theoretical Chemistry Accounts: Theory, Computation, and Modeling , 2004, 112, pp.335
Journal articles
hal-00092068v1
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Magnetic Properties of Conjugated Hydrocarbons from Topological Hamiltonians
Jean-Paul Malrieu
,
Nicolas Ferré
,
Nathalie Guihéry
Applications of Topological Methods in Molecular Chemistry , 22, pp.361-395, 2016, Challenges and Advances in Computational Chemistry and Physics, 978-3-319-29020-1.
⟨10.1007/978-3-319-29022-5_14⟩
Book sections
hal-01409123v1
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Triplet state photochemistry and the three-state crossing of acetophenone within time-dependent density-functional theory
Miquel Huix-Rotllant
,
Nicolas Ferré
Journal articles
hal-01415165v1
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Molecular mechanism of the dark noise in rod photoreceptors
Samer Gozem
,
Igor Schapiro
,
Nicolas Ferré
,
Massimo Olivucci
Abstracts of Papers of the American Chemical Society , 2011, 242
Journal articles
hal-01415201v1
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Manifestation of a conical intersection in a thermal biomolecular process
Samer Gozem
,
Igor Schapiro
,
Nicolas Ferré
,
Massimo Olivucci
Abstracts of Papers of the American Chemical Society , 2011, 242
Journal articles
hal-01415207v1
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pH-dependent absorption spectrum of oxyluciferin analogues in the active site of firefly luciferase
Nuno Manuel de Almeida Barbosa
,
Pauline Gosset
,
Eléonore Réal
,
Vincent Ledentu
,
Pascal Didier
,
et al.
Journal articles
hal-02954392v1
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Effcient analytic second derivative of electrostatic embedding QM/MM energy: normal mode analysis of plant cryptochrome
Karno Schwinn
,
Nicolas Ferré
,
Miquel Huix-Rotllant
Journal articles
hal-02395105v1
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Color-tuning mechanism of firefly investigated by multi-configurational perturbation method.
Isabelle Navizet
,
Y.-J. Liu
,
N. Ferré
,
H.-Y. Xiao
,
W.-H. Fang
,
et al.
Journal articles
hal-00749370v1
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Développements de la méthode LSCF "ab initio" et d'un champ de forces hydride QM/MM/Madelung pour l'étude de la réactivité dans les zéolithes
Nicolas Ferré
Theses
tel-01748064v1
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An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds
Adalgisa Sinicropi
,
Elena Martin
,
Mikhail Ryazantsev
,
Jan Helbing
,
Julien Briand
,
et al.
Journal articles
hal-02463447v1
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pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsin
Michael Stenrup
,
Elisa Pieri
,
Vincent Ledentu
,
Nicolas Ferre
Journal articles
hal-01774207v1
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Retinal in rhodopsin can thermally isomerize via two competing transition states
Samer Gozem
,
Igor Schapiro
,
Nicolas Ferré
,
Massimo Olivucci
Abstracts of Papers of the American Chemical Society , 2011, 242
Journal articles
hal-01415200v1
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Unique QM/MM Potential Energy Surface Exploration Using Microiterations
Federico Melaccio
,
Massimo Olivucci
,
Roland Lindh
,
Nicolas Ferré
Journal articles
istex
hal-01415208v1
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Sub-picosecond C = C bond photo-isomerization: evidence for the role of excited state mixing
Damianos Agathangelou
,
Partha Pratim Roy
,
María del Carmen Marín
,
Nicolas Ferré
,
Massimo Olivucci
,
et al.
Journal articles
hal-03188492v1
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Structure and Spectromagnetic Properties of the Superoxide Radical Adduct of DMPO in Water: Elucidation by Theoretical Investigations
Celine Houriez
,
Nicolas Ferré
,
Didier Siri
,
Paul Tordo
,
Michel Masella
Journal articles
hal-01460221v1
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Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores
Madushanka Manathunga
,
Xuchun Yang
,
Hoi Ling Luk
,
Samer Gozem
,
Luis Manuel Frutos
,
et al.
Journal articles
hal-01409056v1
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Towards an accurate treatment of σ∗←σ transitions: Moving onto
Élise Dumont
,
Nicolas Ferré
,
Antonio Monari
Journal articles
hal-01115343v1
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CpHMD-Then-QM/MM Identification of the Amino Acids Responsible for the Anabaena Sensory Rhodopsin pH-Dependent Electronic Absorption Spectrum
Elisa Pieri
,
Vincent Ledentu
,
Michael Sahlin
,
François Dehez
,
Massimo Olivucci
,
et al.
Journal articles
hal-02171700v1
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Properties of the emitting state of the Green Fluorescent Protein resolved at the CASPT2//CASSCF/CHARMM level.
A. Sinicropi
,
T. Andruniow
,
N. Ferré
,
R. Basosi
,
M. Olivucci
Journal of the American Chemical Society , 2005, 127, pp.11534-11535
Journal articles
hal-00017168v1
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Sampling the protonation states: the pH-dependent UV absorption spectrum of a polypeptide dyad
Elisa Pieri
,
Vincent Ledentu
,
Miquel Huix-Rotllant
,
Nicolas Ferré
Journal articles
hal-02053144v1
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Effect of point mutations on the ultrafast photo-isomerization of Anabaena sensory rhodopsin
D. Agathangelou
,
Y. Orozco-Gonzalez
,
M. del Carmen Marín
,
Pascal Roy
,
J. Brazard
,
et al.
Journal articles
hal-02053159v1
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Anabaena Sensory Rhodopsin: Effect of point mutations on PSBR photo-isomerization speed
Damianos Agathangelou
,
Yoelvis Orozco-Gonzalez
,
Marí del Carmen Marin Pérez
,
Johanna Brazard
,
Hideki Kandori
,
et al.
Journal articles
hal-02394783v1
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Francesco Aquilante
,
Jochen Autschbach
,
Rebecca K. Carlson
,
Liviu Chibotaru
,
Mickaël G. Delcey
,
et al.
Journal articles
hal-01409053v1
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