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Daniel Peláez

free university of berlin

21H指数
95论文数
1.5K被引数
收录论文 33
发表时间
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MCTDH simulations of electron dynamics combining bound and continuum states: Impact of the potential representationMCTDH模拟结合束缚态和连续态的电子动力学：势能表示的影响
errChemical Physics Letters
IF3.1
err2026-07-01
err0
PREAI
errMarando, Sara; Schubert, Frederic; Das, Subhra K.; Salvai, Ramiro; Pelaez, Daniel; Bande, Annika
err分享
err收藏
Efficient Exploration of High-Dimensional Configuration Spaces for the Generation of Chemical Datasets高维构型空间的快速探索用于化学数据集的生成
errJournal of Chemical Information and Modeling
IF5.3
err2025-10-09
err0
PREAI
errXuewen Xiao; Abdul-Rahman Allouche; Emmanuel Dartois; Frédéric Magoulès; Daniel Peláez
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
Single-entry computation of analytical hierarchical (binary) tree structures
errADVANCES IN ENGINEERING SOFTWARE
IF5.7
err2025-05-01
err0
PREAI
errQiu, Z.; Magoules, F.; Pelaez, D.
err分享
err收藏
Quantum and classical molecular dynamics for H atom scattering from graphene (vol 159, 194102, 2023)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-02
err0
PREAI
errShi, Lei; Schroeder, Markus; Meyer, Hans-Dieter; Pelaez, Daniel; Wodtke, Alec M.; Golibrzuch, Kai; Schoenemann, Anna-Maria; Kandratsenka, Alexander; Gatti, Fabien
err分享
err收藏
Time-Resolved Mechanistic Depiction of Photoinduced CO2 Reduction Catalysis on a Urea-Modified Iron Porphyrin
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-07-04
err1
PREAI
errNeto, Daniel H. Cruz; Pugliese, Eva; Gotico, Philipp; Quaranta, Annamaria; Leibl, Winfried; Steenkeste, Karine; Pelaez, Daniel; Pino, Thomas; Halime, Zakaria; Ha-Thi, Minh-Huong
err分享
err收藏
Accelerating wavepacket propagation with machine learning
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-06-21
err0
errOAAI
errSingh, Kanishka; Lee, Ka Hei; Pelaez, Daniel; Bande, Annika
err分享
err收藏
Quantum and classical molecular dynamics for H atom scattering from graphene
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-15
err7
errOAAI
errShi, Lei; Schroeder, Markus; Meyer, Hans-Dieter; Pelaez, Daniel; Wodtke, Alec M.; Golibrzuch, Kai; Schoenemann, Anna-Maria; Kandratsenka, Alexander; Gatti, Fabien
err分享
err收藏
Charge transfer of polyatomic molecules in ion-atom hybrid traps: Stereodynamics in the millikelvin regime
errPHYSICAL REVIEW RESEARCH
IF4.2
err2023-08-11
err5
errOAAI
errVoute, Alexandre; Dorfler, Alexander; Wiesenfeld, Laurent; Dulieu, Olivier; Gatti, Fabien; Pelaez, Daniel; Willitsch, Stefan
err分享
err收藏
CASPT2 study of the electronic structure and photochemistry of protonated N-nitrosodimethylamine (NDMA-H+) at 453 nm
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-25
err5
errOAAI
errSoto, Juan; Pelaez, Daniel; Algarra, Manuel
err分享
err收藏
Analytical high-dimensional operators in canonical polyadic finite basis representation (CP-FBR)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-16
err5
PREAI
errNadoveza, Natasa; Panades-Barrueta, Ramon L.; Shi, Lei; Gatti, Fabien; Pelaez, Daniel
err分享
err收藏
Temporal Alterations of Sphingolipids in Optic Nerves After Indirect Traumatic Optic Neuropathy
errOPHTHALMOLOGY SCIENCE
IF4.6
err2023-03-01
err1
errOAAI
errChauhan, Muhammad Z.; Phillips, Paul H.; Chacko, Joseph G.; Warner, David B.; Pelaez, Daniel; Bhattacharya, Sanjoy K.
err分享
err收藏
AutoMeKin2021: An open-source program for automated reaction discovery
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-08-13
err60
errOAAI
errMartinez-Nunez, Emilio; Barnes, George L.; Glowacki, David R.; Kopec, Sabine; Pelaez, Daniel; Rodriguez, Aurelio; Rodriguez-Fernandez, Roberto; Shannon, Robin J.; Stewart, James J. P.; Tahoces, Pablo G.; Vazquez, Saulo A.
err分享
err收藏
Non long-range corrected density functionals incorrectly describe the intensity of the C-H stretching band in polycyclic aromatic hydrocarbons
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-03-24
err3
PREAI
errGeindre, Hugo; Allouche, Abdul-Rahman; Pelaez, Daniel
err分享
err收藏
A SA-CASSCF and MS-CASPT2 study on the electronic structure of nitrosobenzene and its relation to its dissociation dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-28
err9
PREAI
errSoto, Juan; Pelaez, Daniel; Otero, Juan C.
err分享
err收藏
Low-rank sum-of-products finite-basis-representation (SOP-FBR) of potential energy surfaces
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-18
err12
errOAAI
errPanades-Barrueta, Ramon L.; Pelaez, Daniel
err分享
err收藏
Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations
errFRONTIERS IN CHEMISTRY
IF4.2
err2019-08-14
err7
errOAAI
errPanades-Barrueta, Ramon L.; Martinez-Nunez, Emilio; Pelaez, Daniel
err分享
err收藏
Synergistic anticancer effects of epigenetic drugs JQ1 and SAHA in adenoid cystic carcinoma of the lacrimal gland
errCANCER RESEARCH
IF16.6
err2019-07-01
err0
PREAI
errDoddapaneni, Ravi; Tao, Wensi; Tse, David; Pelaez, Daniel
err分享
err收藏
Inter-Coulombic Decay in Laterally Arranged Quantum Dots Controlled by Polarized Lasers
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-05-22
err15
PREAI
errHaller, Anika; Pelaez, Daniel; Bande, Annika
err分享
err收藏
Geometrical control of the interatomic coulombic decay process in quantum dots for infrared photodetectors
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2016-07-25
err15
errOAAI
errDolbundalchok, Praphasiri; Pelaez, Daniel; Aziz, Emad F.; Bande, Annika
err分享
err收藏

研究方向

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L
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H 指数: 61 · 论文数: 604
H
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H 指数: 61 · 论文数: 303
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