E-LIB Suche - Ergebnisse für: Gaigeot, Marie-Pierre

1

Time-Resolved Graphs of Polymorphic Cycles for H-Bonded Net..:

Aboulfath, Ylène ; Bougueroua, Sana ; Cimas, Alvaro..
Journal of Chemical Theory and Computation. , 2024

2

Ultrafast fragmentation of highly-excited doubly-ionized de..:

Hervé du Penhoat, Marie-Anne ; Souchaud, Alexandre ; Rajpal, Aashini...
Physical Chemistry Chemical Physics. 26 (2024) 21 - p. 15693-15704 , 2024

Link: https://doi.org/10.1039/..

3

On the Trail of Molecular Hydrophilicity and Hydrophobicity..:

Chen, Wanlin ; Sanders, Stephanie E. ; Özdamar, Burak...
The Journal of Physical Chemistry Letters. 14 (2023) 5 - p. 1301-1309 , 2023

Link: https://doi.org/10.1021/..

4

Algorithmic Graph Theory, Reinforcement Learning and Game T..:

Bougueroua, Sana ; Bricage, Marie ; Aboulfath, Ylène..
Molecules. 28 (2023) 7 - p. 2892 , 2023

Link: https://doi.org/10.3390/..

5

Algorithmic graph theory for post-processing molecular dyna..:

Bougueroua, Sana ; Aboulfath, Ylène ; Barth, Dominique.
Molecular Physics. 121 (2023) 7-8 - p. , 2023

Link: https://doi.org/10.1080/..

6

Second-Harmonic Generation Provides Insight into the Screen..:

Ray, Kamal K. ; Limaye, Aditya ; Ng, Ka Chon...
The Journal of Physical Chemistry C. 127 (2023) 30 - p. 14949-14961 , 2023

Link: https://doi.org/10.1021/..

7

HiREX: High-Throughput Reactivity Exploration for Extended ..:

Hashemi, Ali ; Bougueroua, Sana ; Gaigeot, Marie-Pierre.
Journal of Chemical Information and Modeling. 63 (2023) 19 - p. 6081-6094 , 2023

Link: https://doi.org/10.1021/..

8

Oxide– and Silicate–Water Interfaces and Their Roles in Tec..:

Bañuelos, José Leobardo ; Borguet, Eric ; Brown Jr., Gordon E....
Chemical Reviews. 123 (2023) 10 - p. 6413-6544 , 2023

Link: https://doi.org/10.1021/..

9

Salt Bridge Structure of Microhydrated Arginine Kinetically..:

Zviagin, Andrei ; Cimas, Alvaro ; Gaigeot, Marie-Pierre.
The Journal of Physical Chemistry A. 127 (2023) 22 - p. 4832-4837 , 2023

Link: https://doi.org/10.1021/..

10

ReNeGate: A Reaction Network Graph-Theoretical Tool for Aut..:

Hashemi, Ali ; Bougueroua, Sana ; Gaigeot, Marie-Pierre.
Journal of Chemical Theory and Computation. 18 (2022) 12 - p. 7470-7482 , 2022

Link: https://doi.org/10.1021/..

11

Some opinions on MD-based vibrational spectroscopy of gas p..:

Gaigeot, Marie-Pierre
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 260 (2021) - p. 119864 , 2021

Link: https://doi.org/10.1016/..

12

Molecular Fingerprints of Hydrophobicity at Aqueous Interfa..:

Pezzotti, Simone ; Serva, Alessandra ; Sebastiani, Federico...
The Journal of Physical Chemistry Letters. 12 (2021) 15 - p. 3827-3836 , 2021

Link: https://doi.org/10.1021/..

13

Stripping away ion hydration shells in electrical double-la..:

Alfarano, Serena R. ; Pezzotti, Simone ; Stein, Christopher J....
Proceedings of the National Academy of Sciences. 118 (2021) 47 - p. , 2021

Link: https://doi.org/10.1073/..

14

Enhanced conductivity of water at the electrified air–water..:

Creazzo, Fabrizio ; Pezzotti, Simone ; Bougueroua, Sana...
Physical Chemistry Chemical Physics. 22 (2020) 19 - p. 10438-10446 , 2020

Link: https://doi.org/10.1039/..

15

Ions Tune Interfacial Water Structure and Modulate Hydropho..:

Tuladhar, Aashish ; Dewan, Shalaka ; Pezzotti, Simone...
Journal of the American Chemical Society. 142 (2020) 15 - p. 6991-7000 , 2020

Link: https://doi.org/10.1021/..