日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Following the Committor Flow: A Data-Driven Discovery of Transition Pathways

追踪提交者流程:基于数据的转换路径发现

Giuseppe Chen, Cheng; Tang, Chenyu; Megías, Alberto; Talmazan, Radu A; Contreras Arredondo, Sergio; Roux, Benoît; Chipot, Christophe

Computationally unmasking each fatty acyl C=C position in complex lipids by routine LC-MS/MS lipidomics

利用常规LC-MS/MS脂质组学方法,通过计算手段揭示复杂脂质中每个脂肪酰基C=C位置

Lamp, Leonida M; Murawska, Gosia M; Argus, Joseph P; Armando, Aaron M; Talmazan, Radu A; Pühringer, Marlene; Rampler, Evelyn; Quehenberger, Oswald; Dennis, Edward A; Hartler, Jürgen

Coupling causality and interpretable machine learning to reveal the reaction coordinate of C-N coupling with a supramolecular Cu-calix[8]arene catalyst

结合因果关系和可解释机器学习,揭示超分子铜-杯[8]芳烃催化剂催化CN偶联反应的反应坐标

Talmazan, R A; Gamper, J; Castillo, I; Hofer, T S; Podewitz, M

Quantification of Reaction Barriers Under Diffusion Controlled Conditions

扩散控制条件下反应势垒的量化

Maehr, Martin M; Talmazan, Radu A; Podewitz, Maren

UV-Vis Spectra of Carbonic Acid: Rationalizing Experimental Redshifts between Monomer and Bulk based on (H(2)CO(3))(n) Calculations

碳酸的紫外-可见光谱:基于(H(2)CO(3))(n)计算解释单体与本体之间的实验红移

Dinu, Dennis F; Klein, Bastian; Zhang, Chaojiang; Talmazan, Radu A; Loerting, Thomas; Grothe, Hinrich; Kaiser, Ralf I; Podewitz, Maren

Integrative metabolomics-genomics analysis identifies key networks in a stem cell-based model of schizophrenia

整合代谢组学-基因组学分析揭示了基于干细胞的精神分裂症模型中的关键网络

Angeliki Spathopoulou # ,Gabriella A Sauerwein # ,Valentin Marteau # ,Martina Podlesnic ,Theresa Lindlbauer ,Tobias Kipura ,Madlen Hotze ,Elisa Gabassi ,Katharina Kruszewski ,Marja Koskuvi ,János M Réthelyi ,Ágota Apáti ,Luciano Conti ,Manching Ku ,Therese Koal ,Udo Müller ,Radu A Talmazan ,Ilkka Ojansuu ,Olli Vaurio ,Markku Lähteenvuo ,Šárka Lehtonen ,Jerome Mertens ,Marcel Kwiatkowski ,Katharina Günther ,Jari Tiihonen ,Jari Koistinaho ,Zlatko Trajanoski ,Frank Edenhofer

Is Mn(I) More Promising Than Fe(II)-A Comparison of Mn vs Fe Complexes for Olefin Metathesis

Mn(I) 比 Fe(II) 更有前景吗?——烯烃复分解反应中 Mn 和 Fe 配合物的比较

Pecak, Jan; Talmazan, Radu A; Svatunek, Dennis; Kirchner, Karl; Podewitz, Maren

PyConSolv: A Python Package for Conformer Generation of (Metal-Containing) Systems in Explicit Solvent

PyConSolv:用于在显式溶剂中生成(含金属)体系构象异构体的Python包

Talmazan, R A; Podewitz, M

No Transition Metals Required - Oxygen Promoted Synthesis of Imines from Primary Alcohols and Amines under Ambient Conditions

无需过渡金属——在常温常压下,氧气促进伯醇和胺合成亚胺

Himmelbauer, Daniel; Talmazan, Radu; Weber, Stefan; Pecak, Jan; Thun-Hohenstein, Antonio; Geissler, Maxine-Sophie; Pachmann, Lukas; Pignitter, Marc; Podewitz, Maren; Kirchner, Karl

Encapsulation Enhances the Catalytic Activity of C-N Coupling: Reaction Mechanism of a Cu(I)/Calix[8]arene Supramolecular Catalyst

包封增强CN偶联的催化活性:Cu(I)/杯[8]芳烃超分子催化剂的反应机理

Talmazan, Radu A; Refugio Monroy, J; Del Río-Portilla, Federico; Castillo, Ivan; Podewitz, Maren