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C

Christian Ochsenfeld

Ludwig-Maximilians-Universitat Munchen

65H指数
313论文数
2.1W被引数
收录论文 174
发表时间
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A Benchmark and Basis-Set Extrapolation Study of Hyperfine Coupling Constants from the Random Phase Approximation and σ-Functionals高精度基准和基组外推研究：从随机相位近似和σ-泛函获取超精细耦合常数
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-23
err0
errOAAI
errDaniel Graf; Lu Liu; Florian Siekmann; Viktoria Drontschenko; Christian Ochsenfeld
err分享
err收藏
A detailed comparison of ΔSCF methods with the constraint-based orbital-optimized excited state method基于约束条件的轨道优化的激发态方法与ΔSCF方法的详细比较
errCommunications Chemistry
IF6.2
err2026-04-22
err0
errOAAI
errYannick Lemke; Jörg Kussmann; Christian Ochsenfeld
err分享
err收藏
Formulation of an Efficient O(M4)-Scaling Explicitly Correlated MP2-F12 Correction by Combining Numerical Quadrature with Density Fitting and CABS-RI通过结合数值求积、密度拟合和CABS-RI方法构建高效的O(M⁴)-标度显式相关MP2-F12修正
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-02
err0
errOAAI
errLars Urban; Henryk Laqua; Travis H. Thompson; Christian Ochsenfeld
err分享
err收藏
Automated Discovery of Reactive Events via Hypergraph Mining of Ab Initio Atomistic Simulations通过超图挖掘自洽原子模拟实现反应事件的自动化发现
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-12
err0
errOAAI
errAlexandra Stan-Bernhardt; Paolo Pellizzoni; Karsten Borgwardt; Christian Ochsenfeld
err分享
err收藏
Quantum chemistry - from the first steps to linear-scaling electronic structure methods量子化学——从最初步骤到线性标度电子结构方法
errPURE AND APPLIED CHEMISTRY
IF2
err2025-11-01
err0
PREAI
errGraf, Daniel; Drontschenko, Viktoria; Stan-Bernhardt, Alexandra; Ochsenfeld, Christian
err分享
err收藏
Nonorthogonal Configuration Interaction of Constraint-Based Orbital-Optimized Excited States: A Versatile Method for Theoretical Photochemistry非正交构型相互作用约束基轨道优化激发态：一种理论光化学的通用方法
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-08
err0
errOAAI
errYannick Lemke; Jörg Kussmann; Christian Ochsenfeld
err分享
err收藏
Molecular Mechanism of ATP Hydrolysis Catalyzed by p97: A QM/MM Studyp97催化的ATP水解的分子机制：一项QM/MM研究
errJournal of Chemical Theory and Computation
IF5.5
err2025-09-19
err0
PREAI
errJudit Katalin Szántó; Andreas Hulm; Christian Ochsenfeld
err分享
err收藏
A Platform for the Development of Highly Red-Shifted Azobenzene-Based Optical Tools一个用于开发高红移偶氮苯基光学工具的平台
errAngewandte Chemie International Edition
IF0
err2025-06-23
err0
errOAAI
errKyra Lützel; Dr. Henryk Laqua; Manjima B. Sathian; Benedikt Nißl; Judit Katalin Szántó; Christina-Anna Senser; Gökcen Savasci; Dr. Lars Allmendinger; Bilal Kicin; Vincent Ruf; Dominik Kammerer; Theobald Lohmüller; Prof. Dr. Konstantin Karaghiosoff; Dr. Ahmed M. Ali; Prof. Dr. Ursula Storch; Prof. Dr. Michael Mederos y Schnitzler; Prof. Dr. Christian Ochsenfeld; Prof. Dr. David B. Konrad
err分享
err收藏
A Constraint-Based Orbital-Optimized Excited State Method (COOX)基于约束的轨道优化激发态方法 (COOX)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-30
err1
errOAAI
errKussmann, Joerg; Lemke, Yannick; Weinbrenner, Anthea; Ochsenfeld, Christian
err分享
err收藏
Accurate NMR Shieldings with σ-Functionals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-05
err2
PREAI
errFauser, Steffen; Drontschenko, Viktoria; Ochsenfeld, Christian; Goerling, Andreas
err分享
err收藏
QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling通过自适应和聚焦采样对远程生物质子化动力学进行QM/MM自由能计算
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-08
err1
errOAAI
errPoverlein, Maximilian C.; Hulm, Andreas; Dietschreit, Johannes C. B.; Kussmann, Jorg; Ochsenfeld, Christian; Kaila, Ville R. I.
err分享
err收藏
Efficient Exploitation of Numerical Quadrature with Distance-Dependent Integral Screening in Explicitly Correlated F12 Theory: Linear Scaling Evaluation of the Most Expensive RI-MP2-F12 Term在明确相关的F12理论中，通过与距离相关的积分筛选有效地利用数值正交: 最昂贵的RI-MP2-F12项的线性缩放评估
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-16
err0
errOAAI
errUrban, Lars; Laqua, Henryk; Thompson, Travis H.; Ochsenfeld, Christian
err分享
err收藏
Systematic QM/MM Study for Predicting 31P NMR Chemical Shifts of Adenosine Nucleotides in Solution and Stages of ATP Hydrolysis in a Protein Environment系统的QM/MM研究，用于预测蛋白质环境中溶液和ATP水解阶段中腺苷核苷酸的31p NMR化学位移
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-18
err0
errOAAI
errSzanto, Judit Katalin; Dietschreit, Johannes C. B.; Shein, Mikhail; Schuetz, Anne K.; Ochsenfeld, Christian
err分享
err收藏
Exploring Chemical Space Using Ab Initio Hyperreactor Dynamics使用从头算超反应器动力学探索化学空间
errACS CENTRAL SCIENCE
IF10.4
err2024-01-31
err1
errOAAI
errStan-Bernhardt, Alexandra; Glinkina, Liubov; Hulm, Andreas; Ochsenfeld, Christian
err分享
err收藏
Improved Sampling of Adaptive Path Collective Variables by Stabilized Extended-System Dynamics通过稳定的扩展系统动力学改进自适应路径集体变量的采样
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-11
err2
errOAAI
errHulm, Andreas; Ochsenfeld, Christian
err分享
err收藏
Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernels
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-15
err4
errOAAI
errLemke, Yannick; Ochsenfeld, Christian
err分享
err收藏
Analytical Second-Order Properties for the Random Phase Approximation: Nuclear Magnetic Resonance Shieldings随机相位近似的解析二阶性质: 核磁共振屏蔽
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-20
err6
PREAI
errDrontschenko, Viktoria; Bangerter, Felix H.; Ochsenfeld, Christian
err分享
err收藏
Postsynthetic Transformation of Imine- into Nitrone-Linked Covalent Organic Frameworks for Atmospheric Water Harvesting at Decreased Humidity
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-05-26
err38
errOAAI
errGrunenberg, Lars; Savasci, Goekcen; Emmerling, Sebastian T.; Heck, Fabian; Bette, Sebastian; Bergesch, Afonso Cima; Ochsenfeld, Christian; Lotsch, Bettina V.
err分享
err收藏
Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-30
err1
PREAI
errAmbroise, M. A.; Sacchetta, F.; Graf, D.; Ochsenfeld, C.; Dreuw, A.
err分享
err收藏
Charging and Electric Field Effects on Hydrogen Molecules Physisorbed on Graphene
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-02-17
err4
errOAAI
errWollandt, Tobias; Mangel, Shai; Kussmann, Joerg; Leon, Christopher C.; Scavuzzo, Alessio; Ochsenfeld, Christian; Kern, Klaus; Jung, Soon Jung
err分享
err收藏

研究方向

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