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Borgis, Daniel
198  Ergebnisse:
Personensuche X
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1

Dielectric response of confined water films from a classica..:

Borgis, Daniel ; Laage, Damien ; Belloni, Luc.
Chemical Science.  14 (2023)  40 - p. 11141-11150 , 2023
Link: https://doi.org/10.1039/..
 
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2

Quantifying Fluctuations of Average Solvent Environments fo..:

González-Espinoza, Cristina E. ; Rumble, Christopher A. ; Borgis, Daniel.
Journal of Chemical Theory and Computation.  18 (2022)  2 - p. 1072-1088 , 2022
Link: https://doi.org/10.1021/..
 
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3

Accurate prediction of hydration free energies and solvatio..:

Borgis, Daniel ; Luukkonen, Sohvi ; Belloni, Luc.
The Journal of Chemical Physics.  155 (2021)  2 - p. 024117 , 2021
Link: https://doi.org/10.1063/..
 
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4

Simple Parameter-Free Bridge Functionals for Molecular Dens..:

Borgis, Daniel ; Luukkonen, Sohvi ; Belloni, Luc.
The Journal of Physical Chemistry B.  124 (2020)  31 - p. 6885-6893 , 2020
Link: https://doi.org/10.1021/..
 
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5

Tackling Solvent Effects by Coupling Electronic and Molecul..:

Jeanmairet, Guillaume ; Levesque, Maximilien ; Borgis, Daniel
Journal of Chemical Theory and Computation.  16 (2020)  11 - p. 7123-7134 , 2020
Link: https://doi.org/10.1021/..
 
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6

Predicting Hydration Free Energies of the FreeSolv Database..:

Luukkonen, Sohvi ; Belloni, Luc ; Borgis, Daniel.
Journal of Chemical Information and Modeling.  60 (2020)  7 - p. 3558-3565 , 2020
Link: https://doi.org/10.1021/..
 
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7

Hydration free energies and solvation structures with molec..:

Luukkonen, Sohvi ; Levesque, Maximilien ; Belloni, Luc.
The Journal of Chemical Physics.  152 (2020)  6 - p. , 2020
Link: https://doi.org/10.1063/..
 
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8

Study of a water-graphene capacitor with molecular density ..:

Jeanmairet, Guillaume ; Rotenberg, Benjamin ; Borgis, Daniel.
The Journal of Chemical Physics.  151 (2019)  12 - p. , 2019
Link: https://doi.org/10.1063/..
 
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9

A molecular density functional theory approach to electron ..:

Jeanmairet, Guillaume ; Rotenberg, Benjamin ; Levesque, Maximilien..
Chemical Science.  10 (2019)  7 - p. 2130-2143 , 2019
Link: https://doi.org/10.1039/..
 
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10

Computing three-dimensional densities from force densities ..:

Coles, Samuel W. ; Borgis, Daniel ; Vuilleumier, Rodolphe.
The Journal of Chemical Physics.  151 (2019)  6 - p. , 2019
Link: https://doi.org/10.1063/..
 
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11

What Does Second-Harmonic Scattering Measure in Diluted Ele..:

Borgis, Daniel ; Belloni, Luc ; Levesque, Maximilien
The Journal of Physical Chemistry Letters.  9 (2018)  13 - p. 3698-3702 , 2018
Link: https://doi.org/10.1021/..
 
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12

Screened Coulombic Orientational Correlations in Dilute Aqu..:

Belloni, Luc ; Borgis, Daniel ; Levesque, Maximilien
The Journal of Physical Chemistry Letters.  9 (2018)  8 - p. 1985-1989 , 2018
Link: https://doi.org/10.1021/..
 
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13

Efficient molecular density functional theory using general..:

Ding, Lu ; Levesque, Maximilien ; Borgis, Daniel.
The Journal of Chemical Physics.  147 (2017)  9 - p. , 2017
Link: https://doi.org/10.1063/..
 
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14

Electronic Excited State Lifetimes of Anionic Water Cluster..:

Borgis, Daniel ; Rossky, Peter J. ; Turi, László
The Journal of Physical Chemistry Letters.  8 (2017)  10 - p. 2304-2309 , 2017
Link: https://doi.org/10.1021/..
 
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15

Molecular density functional theory of water including dens..:

Jeanmairet, Guillaume ; Levy, Nicolas ; Levesque, Maximilien.
Journal of Physics: Condensed Matter.  28 (2016)  24 - p. 244005 , 2016
Link: https://doi.org/10.1088/..
 
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