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B

Bernd Hartke

christian-albrechts-university kiel

37H指数
156论文数
4.7K被引数
收录论文 44
发表时间
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Competing reaction pathways in the decomposition of 2-propanol over V-doped Co3O4(111) model catalysts: a mechanistic study2-丙醇在V掺杂的Co3O4(111)模型催化剂上的分解：竞争反应路径的机理研究
errfaraday discuss.
IF0
err2026-04-29
err0
errOAAI
errPatrick Hubert †; Jan Smyczek †; Carsten Schröder; Maximilian Galinski; Lina M. Marquardt; Justin Girschik; Bernd Hartke; Guntram Rauhut; Swetlana Schauermann
err分享
err收藏
Diastereoselective Amidoboronate Formation and Transformation from a rac to a Different meso Amidoboronate via Dynamic C-C Bonds外消旋酰胺基硼酸酯通过动态C-C键形成和转化为不同的内消旋酰胺基硼酸酯
errOrg. Biomol. Chem.
IF0
err2025-10-16
err0
errOAAI
errPatrick Harders; Tim Raeker; Lorenz Pietsch; Christian Nather; Bernd Hartke; Anna McConnell
err分享
err收藏
Plasma-engineering of Pt-decorated NiCo2O4 nanowires with rich oxygen vacancies for enhanced oxygen electrocatalysis and zinc-air battery performance具有富氧空位的Pt修饰的NiCo2O4纳米线的等离子体工程用于增强氧电催化和锌空气电池性能
errAPPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
IF21.1
err2025-02-01
err1
errOAAI
errLi, He; Hansen, Luka; Aliyeva, Ainura; Wang, Jihao; Qiu, Haoyi; Mueller, Martin; Chen, Shilong; Aktas, Cenk; Kienle, Lorenz; Hartke, Bernd; Benedikt, Jan
err分享
err收藏
Migration of para-Nitrophenyl Groups in Methyl Pyranosides: Configuration and Conformation Determine the Kinetics
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-10-31
err1
errOAAI
errFriedrich, Leon M.; Luetjohann, Clemens; Hartke, Bernd; Lindhorst, Thisbe K.
err分享
err收藏
Advancing Optoglycomics: Two Orthogonal Azobenzene Glycoside Antennas in One Glycocluster-Synthesis, Switching Cycles, Kinetics and Molecular Dynamics
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-09-17
err1
PREAI
errFriedrich, Leon M.; Hartke, Bernd; Lindhorst, Thisbe K.
err分享
err收藏
Graph-based Automated Macro-Molecule Assembly
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-08-08
err0
PREAI
errSpenke, Florian; Hartke, Bernd
err分享
err收藏
Electrooxidation of Alcohols on Mixed Copper-Cobalt Hydroxycarbonates in Alkaline Solution
errCHEMELECTROCHEM
IF3.5
err2022-06-10
err11
errOAAI
errBraun, Michael; Behrendt, Gereon; Krebs, Moritz L.; Dimitri, Patricia; Kumar, Piyush; Sanjuan, Ignacio; Cychy, Steffen; Brix, Ann Cathrin; Morales, Dulce M.; Horlock, Jennifer; Hartke, Bernd; Muhler, Martin; Schuhmann, Wolfgang; Behrens, Malte; Andronescu, Corina
err分享
err收藏
Implicitly perturbed Hamiltonian as a class of versatile and general-purpose molecular representations for machine learning
errNATURE COMMUNICATIONS
IF15.7
err2022-03-10
err5
errOAAI
errAlibakhshi, Amin; Hartke, Bernd
err分享
err收藏
Disordered Two-Dimensional Self-Organization of Ethyl Pyruvate Molecules on the Pt(111) Surface
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-11-18
err6
PREAI
errWitt, Christopher; Schmidt, Marvin-Christopher; Schroder, Carsten; Schauermann, Swetlana; Hartke, Bernd
err分享
err收藏
Improved prediction of solvation free energies by machine-learning polarizable continuum solvation model
errNATURE COMMUNICATIONS
IF15.7
err2021-06-18
err64
errOAAI
errAlibakhshi, Amin; Hartke, Bernd
err分享
err收藏
Tuning the Strength of Molecular Bonds in Oxygenates via Surface-Assisted Intermolecular Interactions: Atomistic Insights
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-12-15
err9
PREAI
errSchroeder, Carsten; Schmidt, Marvin C.; Witt, Christopher; Attia, Smadar; Weber, Jann; Baumann, Ann-Katrin; Hartke, Bernd; Schauermann, Swetlana
err分享
err收藏
Globally optimal catalytic fields for a Diels-Alder reactionDiels-alder反应的全局最佳催化场
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-03-17
err18
PREAI
errDittner, Mark; Hartke, Bernd
err分享
err收藏
Exploring self-organization of molecular tether molecules on a gold surface by global structure optimization
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2019-05-08
err11
PREAI
errFreibert, Antonia; Dieterich, Johannnes M.; Hartke, Bernd
err分享
err收藏
Axitinib: A Photoswitchable Approved Tyrosine Kinase Inhibitor阿昔替尼: 一种可光转换的酪氨酸激酶抑制剂
errCHEMMEDCHEM
IF3.4
err2018-11-05
err36
PREAI
errSchmidt, Dorian; Rodat, Theo; Heintze, Linda; Weber, Jantje; Horbert, Rebecca; Girreser, Ulrich; Raeker, Tim; Bussmann, Lara; Kriegs, Malte; Hartke, Bernd; Peifer, Christian
err分享
err收藏
Globally Optimal Catalytic Fields - Inverse Design of Abstract Embeddings for Maximum Reaction Rate Acceleration
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-06-08
err28
PREAI
errDittner, Mark; Hartke, Bernd
err分享
err收藏
Resonance dynamics of DCO (<(X over tilde>2A′) simulated with the dynamically pruned discrete variable representation (DP-DVR)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-05-31
err5
errOAAI
errLarsson, Henrik R.; Riedel, Jens; Wei, Jie; Temps, Friedrich; Hartke, Bernd
err分享
err收藏
Simulations of optically switchable molecular machines for particle transport
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-03-24
err4
PREAI
errRaeker, Tim; Jansen, Bjoern; Behrens, Dominik; Hartke, Bernd
err分享
err收藏
Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-04-14
err9
PREAI
errSteffen, Julien; Hartke, Bernd
err分享
err收藏
Efficient molecular quantum dynamics in coordinate and phase space using pruned bases
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-11-28
err35
errOAAI
errLarsson, H. R.; Hartke, B.; Tannor, D. J.
err分享
err收藏
Error-Safe, Portable, and Efficient Evolutionary Algorithms Implementation with High Scalability
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-09-29
err10
PREAI
errDieterich, Johannes M.; Hartke, Bernd
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
A
Adri C. T. van Duin
H 指数: 114 · 论文数: 825
W
Wolfgang Schuhmann
H 指数: 103 · 论文数: 1.1K
M
Martin Muhler
H 指数: 92 · 论文数: 788
C
Christian Näther
H 指数: 62 · 论文数: 1.9K
L
Lorenz Kienle
H 指数: 59 · 论文数: 580
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