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R

Rubén Laplaza

Instituto de Investigaciones Químicas

17H指数
108论文数
1.4K被引数
收录论文 35
发表时间
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Enhancing Catalyst Stability for Magnetically Induced Aqueous Catalysis: Functionalization with a Hydrosoluble Zwitterionic Amidinate Ligand通过水溶性杂离子亚胺基脒配体功能化增强磁诱导水相催化中的催化剂稳定性
errChemSusChem
IF6.6
err2026-05-12
err0
errOAAI
errJosé Aceituno; Adrián Sánchez; Jaime Mazarío; Rubén Laplaza; Bruno Chaudret; Sergio Rojas-Buzo; Luis M. Martínez-Prieto
err分享
err收藏
Benchmarking physics-inspired machine learning models for transition metal complexes with diverse charge and spin states比较面向过渡金属配合物的、具有不同电荷和自旋状态的物理启发式机器学习模型
errDigital Discovery
IF5.6
err2026-05-07
err0
errOAAI
errYuri Cho; Ksenia R. Briling; Yannick Calvino Alonso; Ruben Laplaza; Clemence Corminboeuf
err分享
err收藏
The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?基础机器学习与DFT在均相催化中的未来：竞争还是协同？
errChemistry - A European Journal
IF3.7
err2026-04-18
err0
errOAAI
errMaxime Ferrer; Julen Munarriz; Thijs Stuyver; Ruben Laplaza
err分享
err收藏
SPOCK Tool for Constructing Empirical Volcano Diagrams from Catalytic DataSPOCK工具：用于从催化数据构建经验火山图
errACS CATALYSIS
IF13.1
err2025-04-18
err1
errOAAI
errSuvarna, M; Laplaza, R; Graux, R; López, N; Corminboeuf, C; Jorner, K; Perez-Ramírez, J
err分享
err收藏
Assessment of fine-tuned large language models for real-world chemistry and material science applications评估用于现实世界化学和材料科学应用的微调大型语言模型
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err1
errOAAI
errVan Herck, Joren; Gil, Maria Victoria; Jablonka, Kevin Maik; Abrudan, Alex; Anker, Andy S.; Asgari, Mehrdad; Blaiszik, Ben; Buffo, Antonio; Choudhury, Leander; Corminboeuf, Clemence; Daglar, Hilal; Elahi, Amir Mohammad; Foster, Ian T.; Garcia, Susana; Garvin, Matthew; Godin, Guillaume; Good, Lydia L.; Gu, Jianan; Xiao Hu, Noemie; Jin, Xin; Junkers, Tanja; Keskin, Seda; Knowles, Tuomas P. J.; Laplaza, Ruben; Lessona, Michele; Majumdar, Sauradeep; Mashhadimoslem, Hossein; Mcintosh, Ruaraidh D.; Moosavi, Seyed Mohamad; Mourino, Beatriz; Nerli, Francesca; Pevida, Covadonga; Poudineh, Neda; Rajabi-Kochi, Mahyar; Saar, Kadi L.; Hooriabad Saboor, Fahimeh; Sagharichiha, Morteza; Schmidt, K. J.; Shi, Jiale; Simone, Elena; Svatunek, Dennis; Taddei, Marco; Tetko, Igor; Tolnai, Domonkos; Vahdatifar, Sahar; Whitmer, Jonathan; Wieland, D. C. Florian; Willumeit-Roemer, Regine; Zuttel, Andreas; Smit, Berend
err分享
err收藏
Enantiospecific Synthesis of Planar Chiral Rhodium and Iridium Cyclopentadienyl Complexes: Enabling Streamlined and Computer-Guided Access to Highly Selective Catalysts for Asymmetric C-H Functionalizations
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-12-06
err0
PREAI
errYe, Young Sebastian; Laverny, Aragorn; Wodrich, Matthew D.; Laplaza, Ruben; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Corminboeuf, Clemence; Cramer, Nicolai
err分享
err收藏
Inverse Design of Singlet-Fission Materials with Uncertainty-Controlled Genetic Optimization
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-11-11
err0
errOAAI
errSchaufelberger, Luca; Blaskovits, J. Terence; Laplaza, Ruben; Jorner, Kjell; Corminboeuf, Clemence
err分享
err收藏
3DReact: Geometric Deep Learning for Chemical Reactions
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-07-15
err3
errOAAI
errvan Gerwen, Puck; Briling, Ksenia R.; Bunne, Charlotte; Somnath, Vignesh Ram; Laplaza, Ruben; Krause, Andreas; Corminboeuf, Clemence
err分享
err收藏
Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions
errACS CATALYSIS
IF13.1
err2024-06-17
err0
errOAAI
errWorakul, Thanapat; Laplaza, Ruben; Das, Shubhajit; Wodrich, Matthew D.; Corminboeuf, Clemence
err分享
err收藏
Reaction-Agnostic Featurization of Bidentate Ligands for Bayesian Ridge Regression of Enantioselectivity双齿配体的反应不可知特征化，用于对映选择性的贝叶斯岭回归
errACS CATALYSIS
IF13.1
err2024-06-04
err0
errOAAI
errSchoepfer, Alexandre A.; Laplaza, Ruben; Wodrich, Matthew D.; Waser, Jerome; Corminboeuf, Clemence
err分享
err收藏
Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO2 Hydrogenation
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-05-30
err4
errOAAI
errDas, Shubhajit; Laplaza, Ruben; Blaskovits, J. Terence; Corminboeuf, Clemence
err分享
err收藏
A genetic optimization strategy with generality in asymmetric organocatalysis as a primary target
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err3
errOAAI
errGallarati, Simone; van Gerwen, Puck; Laplaza, Ruben; Brey, Lucien; Makaveev, Alexander; Corminboeuf, Clemence
err分享
err收藏
Cost-informed Bayesian reaction optimization
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errSchoepfer, Alexandre A.; Weinreich, Jan; Laplaza, Ruben; Waser, Jerome; Corminboeuf, Clemence
err分享
err收藏
Automated prediction of ground state spin for transition metal complexes
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err1
errOAAI
errCho, Yuri; Laplaza, Ruben; Vela, Sergi; Corminboeuf, Clemence
err分享
err收藏
Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design
errADVANCED MATERIALS
IF26.8
err2023-11-23
err6
errOAAI
errBlaskovits, J. Terence; Laplaza, Ruben; Vela, Sergi; Corminboeuf, Clemence
err分享
err收藏
Reply to Comment on 'Physics-based representations for machine learning properties of chemical reactions'
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-10-06
err3
errOAAI
errvan Gerwen, Puck; Wodrich, Matthew D.; Laplaza, Ruben; Corminboeuf, Clemence
err分享
err收藏
The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular Systems
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-04
err6
PREAI
errNovoa, Trinidad; Laplaza, Ruben; Peccati, Francesca; Fuster, Franck; Contreras-Garcia, Julia
err分享
err收藏
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-19
err8
errOAAI
errWieduwil, Erna K.; Boto, Roberto A.; Macetti, Giovanni; Laplaza, Ruben; Contreras-Garcia, Julia; Genoni, Alessandro
err分享
err收藏
cell2mol: encoding chemistry to interpret crystallographic data
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2022-08-31
err12
errOAAI
errVela, Sergi; Laplaza, Ruben; Cho, Yuri; Corminboeuf, Clemence
err分享
err收藏
Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes
errNATURE PROTOCOLS
IF16
err2022-08-17
err24
errOAAI
errLaplaza, Ruben; Das, Shubhajit; Wodrich, Matthew D.; Corminboeuf, Clemence
err分享
err收藏

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