Podewitz相关文献与解析，生知库 | 链接生命科学的每一步

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

期刊:Digital Discovery

影响因子:5.6

doi:10.1039/d5dd00216h

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

发表日期：2025

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Quantification of Reaction Barriers Under Diffusion Controlled Conditions

扩散控制条件下反应势垒的量化

期刊:Journal of Computational Chemistry

影响因子:4.8

doi:10.1002/jcc.70233

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

发表日期：2025

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Mechanistic Studies of the Proton-Coupled Electron Transfer Reactivity of a Cobalt Complex with a Proton-Responsive PNP Pincer-Type Ligand

质子响应型PNP钳形配体与钴配合物的质子耦合电子转移反应机理研究

期刊:Inorganic Chemistry

影响因子:4.7

doi:10.1021/acs.inorgchem.5c01792

Mukherjee, Jyotima; Ostermann, Nils; Pecak, Jan; Otte, Matthias; Podewitz, Maren; Siewert, Inke

发表日期：2025

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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

期刊:Chemphyschem

影响因子:2.2

doi:10.1002/cphc.202500282

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

发表日期：2025

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How Vibrational Notations Can Spoil Infrared Spectroscopy: A Case Study on Isolated Methanol

振动模式符号如何影响红外光谱：以分离甲醇为例

期刊:ACS Physical Chemistry Au

影响因子:4.3

doi:10.1021/acsphyschemau.4c00053

Dinu, Dennis F; Oenen, Kemal; Schlagin, Jonas; Podewitz, Maren; Grothe, Hinrich; Loerting, Thomas; Liedl, Klaus R

发表日期：2024

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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

期刊:Organometallics

影响因子:2.9

doi:10.1021/acs.organomet.3c00398

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

发表日期：2024

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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

期刊:Journal of Chemical Information and Modeling

影响因子:5.3

doi:10.1021/acs.jcim.3c00798

Talmazan, R A; Podewitz, M

发表日期：2023

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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

期刊:Chemistry-A European Journal

影响因子:3.7

doi:10.1002/chem.202300094

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

发表日期：2023

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Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects

具有抗增殖作用的钴基金属介离子卡宾金配合物

Non-enzymatic methylcyclization of alkenes

烯烃的非酶促甲基环化反应

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

Quantification of Reaction Barriers Under Diffusion Controlled Conditions

扩散控制条件下反应势垒的量化

Mechanistic Studies of the Proton-Coupled Electron Transfer Reactivity of a Cobalt Complex with a Proton-Responsive PNP Pincer-Type Ligand

质子响应型PNP钳形配体与钴配合物的质子耦合电子转移反应机理研究

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

How Vibrational Notations Can Spoil Infrared Spectroscopy: A Case Study on Isolated Methanol

振动模式符号如何影响红外光谱：以分离甲醇为例

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

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

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