E-LIB Suche - Ergebnisse für: Rapacioli, Mathias

1

Near-infrared absorption and radiative cooling of naphthale..:

Bernard, Jérôme ; Martin, Serge ; Al-Mogeeth, Abdulaziz...
Physical Chemistry Chemical Physics. , 2024

2

Exploring Molecular Energy Landscapes by Coupling the DFTB ..:

Milia, Valentin ; Tarrat, Nathalie ; Zanon, Christophe..
Journal of Chemical Information and Modeling. 64 (2024) 8 - p. 3290-3301 , 2024

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

3

Addressing electronic and dynamical evolution of molecules ..:

Rapacioli, Mathias ; Buey, Maysa Yusef ; Spiegelman, Fernand
Physical Chemistry Chemical Physics. 26 (2024) 3 - p. 1499-1515 , 2024

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

4

Temperature driven transformations of glycine molecules emb..:

Yusef-Buey, Maysa ; Mineva, Tzonka ; Talbi, Dahbia.
Physical Chemistry Chemical Physics. 26 (2024) 3 - p. 2414-2425 , 2024

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

5

Probing the electronic structure and ground state symmetry ..:

Hrodmarsson, Helgi Rafn ; Rapacioli, Mathias ; Spiegelman, Fernand...
The Journal of Chemical Physics. 160 (2024) 16 - p. , 2024

Link: https://doi.org/10.1063/..

6

Structural, Dynamical and Spectroscopic Properties of Atomi..:

, In: European Conference on Laboratory Astrophysics ECLA2020; Astrophysics and Space Science Proceedings,

Rapacioli, Mathias ; Spiegelman, Fernand ; Simon, Aude - p. 161-167 , 2023

Link: https://doi.org/10.1007/..

7

Emission spectra of fullerenes: Computational evidence for ..:

Lacinbala, Ozan ; Calvo, Florent ; Falvo, Cyril...
Physical Review A. 107 (2023) 6 - p. , 2023

Link: https://doi.org/10.1103/..

8

Electronic effects in the dissociative ionisation of pyrene..:

Garcia, Gustavo A. ; Dontot, Léo ; Rapacioli, Mathias...
Physical Chemistry Chemical Physics. 25 (2023) 6 - p. 4501-4510 , 2023

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

9

Dissipative friction dynamics within the density-functional..:

Michoulier, Eric ; Lemoine, Didier ; Spiegelman, Fernand..
The European Physical Journal Special Topics. 232 (2023) 12 - p. 1975-1983 , 2023

Link: https://doi.org/10.1140/..

10

Low-Energy Transformation Pathways between Naphthalene Isom..:

Salomon, Grégoire ; Tarrat, Nathalie ; Schön, J. Christian.
Molecules. 28 (2023) 15 - p. 5778 , 2023

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

11

Accuracy of Computational Chemistry Methods to Calculate Or..:

Bonnot, Kevin ; Benoit, Pierre ; Hoyau, Sophie...
ChemistrySelect. 7 (2022) 48 - p. , 2022

Link: https://doi.org/10.1002/..

12

Coupling density functional based tight binding with class ..:

Yusef Buey, Maysa ; Mineva, Tzonka ; Rapacioli, Mathias
Theoretical Chemistry Accounts. 141 (2022) 3 - p. , 2022

Link: https://doi.org/10.1007/..

13

Periodic DFTB for Supported Clusters: Implementation and Ap..:

Rapacioli, Mathias ; Tarrat, Nathalie
Computation. 10 (2022) 3 - p. 39 , 2022

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

14

Hydrogenation of C24 Carbon Clusters: Structural Diversity ..:

Pla, Paula ; Dubosq, Clément ; Rapacioli, Mathias...
The Journal of Physical Chemistry A. 125 (2021) 24 - p. 5273-5288 , 2021

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

15

Anharmonic infrared spectra of thermally excited pyrene (C1..:

Chakraborty, Shubhadip ; Mulas, Giacomo ; Rapacioli, Mathias.
Journal of Molecular Spectroscopy. 378 (2021) - p. 111466 , 2021

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