Výsledky vyhľadávania - "Joubert, Laurent"

Characterization of β-turns by electronic circular dichroism spectroscopy: a coupled molecular dynamics and time-dependent density functional theory computational study

Autori: Migliore, Mattia Bonvicini, Andrea Tognetti, Vincent a ďalší

Prispievatelia: Migliore, Mattia Bonvicini, Andrea Tognetti, Vincent a ďalší

Zdroj: Physical Chemistry Chemical Physics. 22:1611-1623

Predmety: 0301 basic medicine, secondary structures, 0303 health sciences, Circular Dichroism, polarizable embedding multiscale model, Molecular Dynamics Simulation, electronic circular dichroism, β-turns, molecular dynamics, Protein Structure, Tertiary, 3. Good health, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, time-dependent density functional theory, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, 03 medical and health sciences, Computational Chemistry, polarizable embedding multiscale model * Corresponding authors, Computer Simulation, Protein Conformation, beta-Strand

Popis súboru: application/pdf

Prístupová URL adresa: https://hal.archives-ouvertes.fr/hal-02397135/file/Article_ECDcoudes.pdf
https://pubmed.ncbi.nlm.nih.gov/31894790
https://pubs.rsc.org/en/content/articlelanding/2020/cp/c9cp05776e
https://www.ncbi.nlm.nih.gov/pubmed/31894790
http://pubs.rsc.org/en/content/articlelanding/2020/cp/c9cp05776e
https://ui.adsabs.harvard.edu/abs/2020PCCP...22.1611M/abstract
https://hal.science/hal-02397135v1
https://hal.science/hal-02397135v1/document
https://doi.org/10.1039/c9cp05776e

Geographic variation in body size among French populations of the European pond turtle.

Autori: Mignet, Fabien Barnagaud, Jean-Yves Barthe, Laurent a ďalší

Zdroj: Amphibia-Reptilia; 2021, Vol. 42 Issue 2, p141-151, 11p

Predmety: BODY size, EMYDIDAE, MARINE west coast climate, SPECIES distribution, BIRD populations

Geografický termín: FRANCE

Predicting redox potentials by graph‐based machine learning methods.

Autori: Jia, Linlin Brémond, Éric Zaida, Larissa a ďalší

Zdroj: Journal of Computational Chemistry; 10/30/2024, Vol. 45 Issue 28, p2383-2396, 14p

Predmety: GRAPH neural networks, MACHINE learning, OXIDATION-reduction reaction, PHYSICAL & theoretical chemistry, DENSITY functional theory

Exchange‐correlation effects in interatomic energies for pure density functionals and their application to the molecular energy prediction.

Autori: Tognetti, Vincent Joubert, Laurent

Zdroj: Journal of Computational Chemistry; 10/15/2024, Vol. 45 Issue 27, p2270-2283, 14p

Predmety: DENSITY functionals, DENSITY functional theory, QUANTUM theory, DATABASES, MODEL theory

Electronic Energy and Local Property Errors at QTAIM Critical Points while Climbing Perdew’s Ladder of Density-Functional Approximations

Autori: Brémond, Eric Tognetti, Vincent Chermette, Henry a ďalší

Prispievatelia: Brémond, Eric Tognetti, Vincent Chermette, Henry a ďalší

Zdroj: RUA. Repositorio Institucional de la Universidad de Alicante
Universidad de Alicante (UA)

Predmety: MESH: ATOMS-IN-MOLECULESGENERALIZED-GRADIENT-APPROXIMATIONMAIN-GROUP THERMOCHEMISTRYNONNUCLEAR ATTRACTORSAB-INITIOM06 SUITECHARGE-DISTRIBUTIONSSIMILARITY MEASURESEXCITED-STATESBROAD ACCURACY, Local property errors, Perdew's ladder, Electronic energy, 01 natural sciences, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, Density-functional approximations, [CHIM] Chemical Sciences, 0103 physical sciences, [CHIM]Chemical Sciences, QTAIM critical points, Química Física

Popis súboru: application/pdf

Prístupová URL adresa: https://pubmed.ncbi.nlm.nih.gov/34958205
http://hdl.handle.net/10045/120752
https://hal.science/hal-03519879v1
https://hal.science/hal-03519879v1/document
https://doi.org/10.1021/acs.jctc.1c00981
https://hdl.handle.net/10045/120752

Metalloenzyme‐Mediated Thiol‐Yne Addition Towards Photoisomerizable Fluorescent Dyes.

Autori: Lossouarn, Alexis Puteaux, Chloé Bailly, Laetitia a ďalší

Zdroj: Chemistry - A European Journal; 11/7/2022, Vol. 28 Issue 62, p1-9, 9p

Predmety: COUMARINS, FLUORESCENT dyes, DIVINYL sulfide, CHEMICAL reactions, CARBONIC anhydrase inhibitors, CLICK chemistry

Determining the Factors Accounting for Reaction Selectivity: A Relative Energy Gradient – Interacting Quantum Atoms and Natural Bonding Orbitals Study.

Autori: Cador, Aël Morell, Christophe Tognetti, Vincent a ďalší

Zdroj: ChemPhysChem; 8/19/2024, Vol. 25 Issue 16, p1-12, 12p

Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns.

Autori: Hoffmann, Guillaume Guégan, Frédéric Labet, Vanessa a ďalší

Zdroj: Journal of Computational Chemistry; 7/30/2024, Vol. 45 Issue 20, p1716-1726, 11p

Predmety: DENSITY functional theory, CHEMICAL reagents, ORGANIC compounds

Nine questions on energy decomposition analysis

Autori: Andrés, Juan Boto, Roberto A Ayers, Paul W a ďalší

Popis súboru: text

Relation: https://livrepository.liverpool.ac.uk/3041755/1/eda.pdf; Collapse authors list. Andrés, Juan, Boto, Roberto A, Ayers, Paul W, Carbó-Dorca, Ramon, Chermette, Henry, Cioslowski, Jerzy, Contreras-Garcia, Julia, Cooper, DL orcid:0000-0003-0639-0794 , Frenking, Gernot, Gatti, Carlo et al (show 20 more authors) , Heidar-Zadeh, Farnaz, Joubert, Laurent, Martín Pendás, Ángel, Matito, Eduard, Mayer, István, Misquitta, Alston, Mo, Yirong, Pilmé, Julien, Popelier, Paul LA, Rahm, Martin, Ramos-Cordoba, Eloy, Salvador, Pedro, Schwarz, WH Eugen, Shahbazian, Shant, Silvi, Bernard, Solà, Miquel, Szalewicz, Krzysztof, Tognetti, Vincent, Weinhold, Frank and Zins, Émilie-Laure (2019) Nine questions on energy decomposition analysis. Journal of Computational Chemistry, 40 (26). pp. 2248-2283. ISSN 0192-8651, 1096-987X

Dostupnosť: https://livrepository.liverpool.ac.uk/3041755/
https://doi.org/10.1002/jcc.26003
https://livrepository.liverpool.ac.uk/3041755/1/eda.pdf

Aza‐Michael Addition in Explicit Solvent: A Relative Energy Gradient–Interacting Quantum Atoms Study.

Autori: Cador, Aël Tognetti, Vincent Joubert, Laurent a ďalší

Zdroj: ChemPhysChem; 12/14/2023, Vol. 24 Issue 24, p1-16, 16p

"In pain you shall bring forth children" Humble Acceptance of the Pain of Childbirth? A Brief Overview from the Middle Ages to the Sixteenth Century.

Autori: Foscati, Alessandra

Zdroj: Medicina nei Secoli: Arte e Scienza; 2025, Vol. 37 Issue 1, p81-100, 20p

Predmety: CHILDBIRTH, HUMAN life cycle, MIDDLE Ages, HISTORIANS, DEVELOPMENTAL biology

Question des huiles traictees problematiquement par Laur. Joubert,... ; Item, Censure de quelques opinions touchant la decoction pour les arquebuzades par le mesme auteur
Question of traictee oils problematically by Laur. Joubert,; Item, Censorship of some opinions concerning the decoction for arquebuzades by the Author Mass

Autori: Joubert, Laurent (1529-1583). Auteur du texte Joubert, Laurent (1529-1583). Author of the text

Zdroj: Bibliothèque municipale de Lyon, Rés 800686

Dostupnosť: http://data.europeana.eu/aggregation/europeana/794/ark__12148_bpt6k79199r

Erreurs populaires, touchant la medecine & le regime de santé, par M. Laurent Joubert,... Avec plusieurs autres petits traictez...

Autori: Joubert, Laurent (1529-1583). Author of the text Cabrol, Barthélemy. Author of the text Joubert, Laurent (1529-1583). Auteur du texte a ďalší

Prispievatelia: Joubert, Laurent (1529-1583). Author of the text Cabrol, Barthélemy. Author of the text Joubert, Laurent (1529-1583). Auteur du texte a ďalší

Zdroj: Bibliothèque nationale de France, département Arsenal, 8-S-11573

Dostupnosť: http://data.europeana.eu/aggregation/europeana/794/ark__12148_bpt6k15208406

A theoretical study on aza-Michael additions.

Autori: Cador, Aël Hoffmann, Guillaume Tognetti, Vincent a ďalší

Zdroj: Theoretical Chemistry Accounts: Theory, Computation, & Modeling; Nov2022, Vol. 141 Issue 11, p1-15, 15p

Predmety: CHEMICAL processes, POTENTIAL energy surfaces, DENSITY functional theory, ORGANIC synthesis, REACTIVITY (Chemistry), INTRAMOLECULAR proton transfer reactions, ELECTROPHILES, CHARGE transfer

A Study on the Stability of Graph Edit Distance Heuristics.

Autori: Jia, Linlin Tognetti, Vincent Joubert, Laurent a ďalší

Zdroj: Electronics (2079-9292); Oct2022, Vol. 11 Issue 20, p3312-N.PAG, 10p

Predmety: K-nearest neighbor classification, HEURISTIC, MACHINE learning

Traité du ris : contenant son essance, ses causes, et mervelheus effais... ([Reprod.]) / par M. Laur. Ioubert... ; [traduit du latin par Louis Papon et J.P. Zangmaistre]
Treatise of the ris: containing its essance, its causes, and mervelheus effais... ([Reprod.])/by M. Laur. Ubert; [translated from Latin by Louis Papon and J.P. Zangmaistre]

Autori: Joubert, Laurent (1529-1583). Auteur du texte Démocrite (0460?-0370? av. J.-C.). Auteur du texte Beauchatel, Christophe de. Auteur du texte a ďalší

Prispievatelia: Joubert, Laurent (1529-1583). Auteur du texte Démocrite (0460?-0370? av. J.-C.). Auteur du texte Beauchatel, Christophe de. Auteur du texte a ďalší

Zdroj: Bibliothèque nationale de France, département Littérature et art, 8-Tb40-1
National Library of France, Department of Literature and Art, 8-Tb40-1

Dostupnosť: http://data.europeana.eu/aggregation/europeana/794/ark__12148_bpt6k50676w

Traicté des causes du ris, et tous ses accidents... translaté en François par M. Loys Papon...
Traicté of the causes of the ris, and all his accidents... translated in François by M. Loys Papon...

Autori: Joubert, Laurent (1529-1583). Auteur du texte Joubert, Laurent (1529-1583). Author of the text Papon, Loys. Traducteur a ďalší

Prispievatelia: Joubert, Laurent (1529-1583). Auteur du texte Joubert, Laurent (1529-1583). Author of the text Papon, Loys. Traducteur a ďalší

Zdroj: Bibliothèque nationale de France, département Réserve des livres rares, RESP-R-527

Dostupnosť: http://data.europeana.eu/aggregation/europeana/794/ark__12148_btv1b8624640x

Sentence of two beautiful questions, on the curation of the arcbusades and other playes ([Reprod.])/given by M. Laurens Joubert,...
Sentence de deux belles questions, sur la curation des arcbusades & autres playes ([Reprod.]) / donnée par M. Laurens Joubert,...

Autori: Joubert, Laurent (1529-1583). Author of the text Joubert, Laurent (1529-1583). Auteur du texte

Zdroj: Bibliothèque nationale de France

Dostupnosť: http://data.europeana.eu/aggregation/europeana/794/ark__12148_bpt6k540270

Annotations by M. Laurent Joubert on the whole surgery of M. Guy de Chauliac; with The interpretation of the languages dudict Guy (i.e. the explanation of his most obscure terms)... ([Reprod.])
Annotations de M. Laurent Joubert sur toute la chirurgie de M. Guy de Chauliac ; avec L'interprétation des langues dudict Guy (c'est-à-dire l'explication de ses termes les plus obscurs)... ([Reprod.])

Autori: Joubert, Laurent (1529-1583). Author of the text Joubert, Laurent (1529-1583). Auteur du texte

Zdroj: Bibliothèque nationale de France

Dostupnosť: http://data.europeana.eu/aggregation/europeana/794/ark__12148_bpt6k53883f

Medicinae practicae priores libri tres ([Reprod.])

Autori: Joubert, Laurent (1529-1583). Author of the text Joubert, Laurent (1529-1583). Auteur du texte

Zdroj: Bibliothèque nationale de France

Dostupnosť: http://data.europeana.eu/aggregation/europeana/794/ark__12148_bpt6k537281