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Lea M. Ibele

universite paris-saclay and cnrs

13H指数
45论文数
535被引数
收录论文 17
发表时间
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A Coupled-Trajectory Strategy for Decoherence; Frustrated Hops and Internal Consistency in Surface Hopping退相干问题的耦合轨迹策略；表面跳跃中的挫败跳跃与内部一致性
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-23
err0
PREAI
errLea M. Ibele; Eduarda Sangiogo Gil; Peter Schürger; Brieuc Le Dé; Rodrigue Noc; Federica Agostini
err分享
err收藏
Ultrafast Dynamics and Excited-State Trapping in [3.3]Paracyclophane
errphys. chem. chem. phys.
IF0
err2026-01-26
err0
errOAAI
errMuhammad Tahir Hafeez; Rafael S. Mattos; Lea Ibele; Mario Barbatti
err分享
err收藏
Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging通过库仑爆炸成像技术可视化有机分子中氢原子的三维排布
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-10-01
err0
PREAI
errGreen, Alice E.; Chen, Keyu; Bhattacharyya, Surjendu; Allum, Felix; Usenko, Sergey; Ashfold, Michael N. R.; Baumann, Thomas M.; Borne, Kurtis D.; Brouard, Mark; Burt, Michael; Curchod, Basile F. E.; Erk, Benjamin; Forbes, Ruaridh J. G.; Ibele, Lea M.; Ingle, Rebecca A.; Van Sa Lam, Huynh; Li, Xiang; Lin, Kang; Mazza, Tommaso; McManus, Joseph W.; Meyer, Michael; Mullins, Terence; Figueira Nunes, Joao Pedro; Rivas, Daniel E.; Roerig, Aljoscha; Rouzee, Arnaud; Schmidt, Philipp; Searles, John; Senfftleben, Bjorn; Stapelfeldt, Henrik; Tanyag, Rico Mayro P.; Trinter, Florian; Venkatachalam, Anbu Selvam; Wang, Enliang; Warne, Emily M.; Weber, Peter M.; Wolf, Thomas J. A.; Jahnke, Till; Rudenko, Artem; Boll, Rebecca; Rolles, Daniel
err分享
err收藏
Benchmarking Density Functional Approximations in Nonadiabatic Dynamics: Trans–Cis Isomerization in Retinal Model非绝热动力学中密度泛函近似的基准测试：视黄醛模型的反-顺异构化
errJournal of Chemical Theory and Computation
IF5.5
err2025-09-30
err0
PREAI
errLea M. Ibele; Carlo Adamo; Davide Avagliano
err分享
err收藏
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics非绝热动力学中分子基准的研究路线图
errThe Journal of Physical Chemistry A
IF0
err2025-07-15
err0
errOAAI
errLéon L. E. Cigrang; Basile F. E. Curchod; Rebecca A. Ingle; Aaron Kelly; Jonathan R. Mannouch; Davide Accomasso; Alexander Alijah; Mario Barbatti; Wiem Chebbi; Nadja Došlić; Elliot C. Eklund; Sebastian Fernandez-Alberti; Antonia Freibert; Leticia González; Giovanni Granucci; Federico J. Hernández; Javier Hernández-Rodríguez; Amber Jain; Jiří Janoš; Ivan Kassal; Adam Kirrander; Zhenggang Lan; Henrik R. Larsson; David Lauvergnat; Brieuc Le Dé; Yeha Lee; Neepa T. Maitra; Seung Kyu Min; Daniel Peláez; David Picconi; Zixing Qiu; Umberto Raucci; Patrick Robertson; Eduarda Sangiogo Gil; Marin Sapunar; Peter Schürger; Patrick Sinnott; Sergei Tretiak; Arkin Tikku; Patricia Vindel-Zandbergen; Graham A. Worth; Federica Agostini; Sandra Gómez; Lea M. Ibele; Antonio Prlj
err分享
err收藏
Structural elucidation of the main coloured compounds of Justicia spicigera based on experimental and computational electronic features基于实验和计算电子特征的 Justicia spicigera 主要着色化合物的结构解析
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2025-05-14
err0
PREAI
errArberet, Lucie; Ibele, Lea-Maria; Blond, Alain; Michelin, Anne; Nowik, Witold; Tchapla, Alain; Agostini, Federica; Andraud, Christine; Heron, Sylvie
err分享
err收藏
Assessing the performance of coupled-trajectory schemes on full-dimensional two-state linear vibronic coupling models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-14
err0
PREAI
errSchurger, Peter; Ibele, Lea M.; Lauvergnat, David; Agostini, Federica
err分享
err收藏
Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-04
err8
PREAI
errIbele, Lea M.; Memhood, Arshad; Levine, Benjamin G.; Avagliano, Davide
err分享
err收藏
Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-15
err2
errOAAI
errDaria, Alberto Martin Santa; Hernandez-Rodriguez, Javier; Ibele, Lea M.; Gomez, Sandra
err分享
err收藏
Monitoring the Evolution of Relative Product Populations at Early Times during a Photochemical Reaction
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-02-06
err7
errOAAI
errNunes, Joao Pedro Figueira; Ibele, Lea Maria; Pathak, Shashank; Attar, Andrew R.; Bhattacharyya, Surjendu; Boll, Rebecca; Borne, Kurtis; Centurion, Martin; Erk, Benjamin; Lin, Ming-Fu; Forbes, Ruaridh J. G.; Goff, Nathan; Hansen, Christopher S.; Hoffmann, Matthias; Holland, David M. P.; Ingle, Rebecca A.; Luo, Duan; Muvva, Sri Bhavya; Reid, Alexander H.; Rouzee, Arnaud; Rudenko, Artem; Saha, Sajib Kumar; Shen, Xiaozhe; Venkatachalam, Anbu Selvam; Wang, Xijie; Ware, Matt R.; Weathersby, Stephen P.; Wilkin, Kyle; Wolf, Thomas J. A.; Xiong, Yanwei; Yang, Jie; Ashfold, Michael N. R.; Rolles, Daniel; Curchod, Basile F. E.
err分享
err收藏
Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-04
err11
errOAAI
errPieroni, Carlotta; Gil, Eduarda Sangiogo; Ibele, Lea M.; Persico, Maurizio; Granucci, Giovanni; Agostini, Federica
err分享
err收藏
Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-18
err10
errOAAI
errArribas, Evaristo Villaseco; Ibele, Lea M.; Lauvergnat, David; Maitra, Neepa T.; Agostini, Federica
err分享
err收藏
Dynamics near a conical intersection-A diabolical compromise for the approximations of ab initio multiple spawning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-11-03
err6
errOAAI
errIbele, Lea M.; Curchod, Basile F. E.
err分享
err收藏
Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-06-17
err30
errOAAI
errVindel-Zandbergen, Patricia; Ibele, Lea M.; Ha, Jong-Kwon; Min, Seung Kyu; Curchod, Basile F. E.; Maitra, Neepa T.
err分享
err收藏
Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-09
err25
errOAAI
errIbele, Lea M.; Lassmann, Yorick; Martinez, Todd J.; Curchod, Basile F. E.
err分享
err收藏
Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening
errNATURE CHEMISTRY
IF20.2
err2020-07-20
err62
errOAAI
errPathak, Shashank; Ibele, Lea M.; Boll, Rebecca; Callegari, Carlo; Demidovich, Alexander; Erk, Benjamin; Feifel, Raimund; Forbes, Ruaridh; Di Fraia, Michele; Giannessi, Luca; Hansen, Christopher S.; Holland, David M. P.; Ingle, Rebecca A.; Mason, Robert; Plekan, Oksana; Prince, Kevin C.; Rouzee, Arnaud; Squibb, Richard J.; Tross, Jan; Ashfold, Michael N. R.; Curchod, Basile F. E.; Rolles, Daniel
err分享
err收藏
Velocity Rescaling in Surface Hopping Based on Atomic Contributions to Electronic Transitions基于原子对电子跃迁贡献的表面跳跃速度标度
errJournal of Chemical Theory and Computation
IF5.5
err
err0
errOAAI
errEduarda Sangiogo-Gil; Lea M. Ibele; Richard Bleyer; Leticia González
err分享
err收藏

研究方向

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合作学者
合作期刊
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Todd J. Martı́nez
H 指数: 93 · 论文数: 666
S
Sergei Tretiak
H 指数: 88 · 论文数: 739
C
Carlo Adamo
H 指数: 87 · 论文数: 584
M
Michael N. R. Ashfold
H 指数: 71 · 论文数: 642
T
T. Baumann
H 指数: 71 · 论文数: 680
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