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Joubert, Laurent
677  Ergebnisse:
Personensuche X
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1

Expanding horizons in conceptual density functional theory:..:

Hoffmann, Guillaume ; Guégan, Frédéric ; Labet, Vanessa...
Journal of Computational Chemistry.  45 (2024)  20 - p. 1716-1726 , 2024
Link: https://doi.org/10.1002/..
 
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2

Predicting redox potentials by graph‐based machine learning..:

Jia, Linlin ; Brémond, Éric ; Zaida, Larissa...
Journal of Computational Chemistry.  , 2024
Link: https://doi.org/10.1002/..
 
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3

Exchange‐correlation effects in interatomic energies for pu..:

Tognetti, Vincent ; Joubert, Laurent
Journal of Computational Chemistry.  , 2024
Link: https://doi.org/10.1002/..
 
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4

Determining the Factors Accounting for Reaction Selectivity..:

Cador, Aël ; Morell, Christophe ; Tognetti, Vincent..
ChemPhysChem.  , 2024
Link: https://doi.org/10.1002/..
 
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5

Aza‐Michael Addition in Explicit Solvent: A Relative Energy..:

Cador, Aël ; Tognetti, Vincent ; Joubert, Laurent.
ChemPhysChem.  24 (2023)  24 - p. , 2023
Link: https://doi.org/10.1002/..
 
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6

A Study on the Stability of Graph Edit Distance Heuristics:

Jia, Linlin ; Tognetti, Vincent ; Joubert, Laurent..
Electronics.  11 (2022)  20 - p. 3312 , 2022
Link: https://doi.org/10.3390/..
 
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7

A theoretical study on aza-Michael additions:

Cador, Aël ; Hoffmann, Guillaume ; Tognetti, Vincent.
Theoretical Chemistry Accounts.  141 (2022)  11 - p. , 2022
Link: https://doi.org/10.1007/..
 
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8

Metalloenzyme‐Mediated Thiol‐Yne Addition Towards Photoisom..:

Lossouarn, Alexis ; Puteaux, Chloé ; Bailly, Laetitia...
Chemistry – A European Journal.  28 (2022)  62 - p. , 2022
Link: https://doi.org/10.1002/..
 
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9

Electronic Energy and Local Property Errors at QTAIM Critic..:

Brémond, Éric ; Tognetti, Vincent ; Chermette, Henry...
Journal of Chemical Theory and Computation.  18 (2021)  1 - p. 293-308 , 2021
Link: https://doi.org/10.1021/..
 
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10

Polarisation of Electron Density and Electronic Effects: Re..:

Menant, Sébastien ; Guégan, Frédéric ; Tognetti, Vincent...
Molecules.  26 (2021)  20 - p. 6218 , 2021
Link: https://doi.org/10.3390/..
 
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11

Predicting experimental electrophilicities from quantum and..:

Hoffmann, Guillaume ; Balcilar, Muhammet ; Tognetti, Vincent...
Journal of Computational Chemistry.  41 (2020)  24 - p. 2124-2136 , 2020
Link: https://doi.org/10.1002/..
 
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12

Characterization of β-turns by electronic circular dichrois..:

Migliore, Mattia ; Bonvicini, Andrea ; Tognetti, Vincent...
Physical Chemistry Chemical Physics.  22 (2020)  3 - p. 1611-1623 , 2020
Link: https://doi.org/10.1039/..
 
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13

Electrophilicity Indices and Halogen Bonds: Some New Altern..:

Hoffmann, Guillaume ; Tognetti, Vincent ; Joubert, Laurent
The Journal of Physical Chemistry A.  124 (2020)  10 - p. 2090-2101 , 2020
Link: https://doi.org/10.1021/..
 
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14

Geographic variation in body size among French populations ..:

Mignet, Fabien ; Barnagaud, Jean-Yves ; Barthe, Laurent...
Amphibia-Reptilia.  42 (2020)  2 - p. 141-151 , 2020
Link: https://doi.org/10.1163/..
 
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15

On the influence of dynamical effects on reactivity descrip..:

Hoffmann, Guillaume ; Tognetti, Vincent ; Joubert, Laurent
Chemical Physics Letters.  724 (2019)  - p. 24-28 , 2019
Link: https://doi.org/10.1016/..
 
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