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The Journal of Physical Chemistry. A
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April 25, 2024
Exploring Exact-Factorization-Based Trajectories for Low-Energy Dynamics near a Conical Intersection
Lea M Ibele, Federica Agostini
Physical Chemistry Chemical Physics : PCCP
|
February 20, 2019
The 3s Rydberg state as a doorway state in the ultrafast dynamics of 1,1-difluoroethylene
Sandra Gómez, Lea M Ibele, Leticia González
Journal of Chemical Theory and Computation
|
September 30, 2025
Benchmarking Density Functional Approximations in Nonadiabatic Dynamics: <i>Trans</i>-<i>Cis</i> Isomerization in Retinal Model
Lea M Ibele, Carlo Adamo, Davide Avagliano
The Journal of Chemical Physics
|
November 7, 2021
Dynamics near a conical intersection-A diabolical compromise for the approximations of ab initio multiple spawning
Lea M Ibele, Basile F E Curchod
Physical Chemistry Chemical Physics : PCCP
|
June 26, 2020
A molecular perspective on Tully models for nonadiabatic dynamics
Lea M Ibele, Basile F E Curchod
The Journal of Chemical Physics
|
March 14, 2025
Assessing the performance of coupled-trajectory schemes on full-dimensional two-state linear vibronic coupling models
Peter Schürger, Lea M Ibele, David Lauvergnat, et al.
The Journal of Physical Chemistry. A
|
February 14, 2022
A Photochemical Reaction in Different Theoretical Representations
Lea M Ibele, Basile F E Curchod, Federica Agostini
The Journal of Chemical Physics
|
April 8, 2026
Robustness and reliability of different CASPT2 flavors for nonadiabatic molecular dynamics
Eya Derbali, Davide Avagliano, Mourad Telmini, et al.
Journal of Chemical Theory and Computation
|
August 22, 2025
Velocity Rescaling in Surface Hopping Based on Atomic Contributions to Electronic Transitions
Eduarda Sangiogo-Gil, Lea M Ibele, Richard Bleyer, et al.
Journal of Chemical Theory and Computation
|
September 4, 2024
Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface
Lea M Ibele, Arshad Memhood, Benjamin G Levine, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
April 25, 2024
Exploring Exact-Factorization-Based Trajectories for Low-Energy Dynamics near a Conical Intersection
Lea M Ibele, Federica Agostini
Physical Chemistry Chemical Physics : PCCP
|
February 20, 2019
The 3s Rydberg state as a doorway state in the ultrafast dynamics of 1,1-difluoroethylene
Sandra Gómez, Lea M Ibele, Leticia González
Journal of Chemical Theory and Computation
|
September 30, 2025
Benchmarking Density Functional Approximations in Nonadiabatic Dynamics: <i>Trans</i>-<i>Cis</i> Isomerization in Retinal Model
Lea M Ibele, Carlo Adamo, Davide Avagliano
The Journal of Chemical Physics
|
November 7, 2021
Dynamics near a conical intersection-A diabolical compromise for the approximations of ab initio multiple spawning
Lea M Ibele, Basile F E Curchod
Physical Chemistry Chemical Physics : PCCP
|
June 26, 2020
A molecular perspective on Tully models for nonadiabatic dynamics
Lea M Ibele, Basile F E Curchod
The Journal of Chemical Physics
|
March 14, 2025
Assessing the performance of coupled-trajectory schemes on full-dimensional two-state linear vibronic coupling models
Peter Schürger, Lea M Ibele, David Lauvergnat, et al.
The Journal of Physical Chemistry. A
|
February 14, 2022
A Photochemical Reaction in Different Theoretical Representations
Lea M Ibele, Basile F E Curchod, Federica Agostini
The Journal of Chemical Physics
|
April 8, 2026
Robustness and reliability of different CASPT2 flavors for nonadiabatic molecular dynamics
Eya Derbali, Davide Avagliano, Mourad Telmini, et al.
Journal of Chemical Theory and Computation
|
August 22, 2025
Velocity Rescaling in Surface Hopping Based on Atomic Contributions to Electronic Transitions
Eduarda Sangiogo-Gil, Lea M Ibele, Richard Bleyer, et al.
Journal of Chemical Theory and Computation
|
September 4, 2024
Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface
Lea M Ibele, Arshad Memhood, Benjamin G Levine, et al.
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of 3