Martin Kaupp - Publications, H-index & Citations

Martin Kaupp

technische universitat berlin

76H指数

757论文数

2.2W被引数

收录论文 246

发表时间

An Energy-Corrected Fast Post-SCF Local-Hybrid Scheme for Highly Accurate Energy Differences of Large Main-Group Systems 一种用于大主族体系高精度能量差计算的能量校正快速后SCF局域杂化方案

Journal of Computational Chemistry

IF4.8

2026-06-16

OAAI

Artur Wodyński; Martin Kaupp

Systematic Evaluation of a Cluster-Continuum-Model Workflow to Compute the Free Energies of Solvation of Ions in Different Solvents 不同溶剂中离子溶剂化自由能计算的簇-连续介质模型工作流的系统评价

The Journal of Physical Chemistry A

IF2.8

2026-04-28

OAAI

Morten Lehmann; Froze Jameel; Martin Kaupp

Toward Doubly Local Double Hybrid Functionals Using Neural-Network Local Mixing Functions 基于神经网络的局部混合函数实现双区域双杂化泛函的方法

Journal of Chemical Theory and Computation

IF5.5

2026-02-13

OAAI

Nóra Kovács; Szymon Śmiga; Martin Kaupp; Artur Wodyński

Local-Hybrid Functional With a Composite Local Mixing Function Built From a Neural Network and a Strong-Correlation Model

Journal of Computational Chemistry

IF4.8

2026-01-24

OAAI

Artur Wodyński; Martin Kaupp

Data-Driven Learning of Optimal Position-Dependent Exact-Exchange Energy Density Mixing for Improved Density Functionals 数据驱动的最佳位置相关精确交换能量密度混合学习，以改善密度功能

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2025-12-01

PREAI

Kaupp, Martin; Kovacs, Nora; Wodynski, Artur

A facile route to ‘naked’ Ag+ ions enabling the coordination of the weak Lewis base Ni(CO)4 一种制备‘裸露’Ag+离子的简便方法，能够促进弱路易斯碱Ni(CO)4的配位

Chem. Sci.

IF7.4

2025-11-07

OAAI

Willi Ragnar Berg; Amina Leoni Moshtaha; Robin Sievers; Marc Reimann; Tim-Niclas Streit; Susanne M. Rupf; Martin Kaupp; Moritz Malischewski

Magnetic response of prismane and the triangular prism-like Bi62- and Te64+ clusters 棱柱烷和三角棱柱状的Bi₆²⁻和Te₆⁴⁺簇的磁响应

MOLECULAR PHYSICS

IF1.8

2025-11-01

PREAI

Nasibullin, Rinat T.; Blasco, Daniel; Du, Dou; Kaupp, Martin; Sundholm, Dage

First-principles paramagnetic NMR of a challenging Fe(V) bis(imido) complex: A case for novel density functionals beyond the zero-sum game 基于第一性原理的顺磁NMR研究一种具有挑战性的Fe(V)双亚硝基配合物：超越零和博弈的新型密度泛函的一个案例

Phys. Chem. Chem. Phys.

IF2.9

2025-08-23

OAAI

Ari Pyykkönen; Artur Wodynski; Martin Kaupp; Juha Vaara

Isolation of halogen-substituted silylium ions 卤素取代硅鎓离子的分离

Nature Chemistry

IF20.2

2025-07-31

OAAI

Tobias Randt; Morten Lehmann; Elisabeth Irran; Martin Kaupp; Hendrik F. T. Klare; Martin Oestreich

Platinum-Catalysed Hydrofluorination of Alkynes at Room Temperature Promoted by a Fluoride Shuttle 室温下由氟离子穿梭促进的钯催化炔烃加氢氟化反应

Angewandte Chemie International Edition

IF0

2025-07-23

OAAI

Ouchan He; Dr. Froze Jameel; Hannah Flammang; Smrithi Suresh Babu; Prof. Dr. Martin Kaupp; Prof. Dr. Thomas Braun

Unlocking a Ferrocenium Superoxidizer with the Perfluorinated Cp* Ligand 利用全氟化Cp*配体解锁一种铁羰基超氧化物。

Angewandte Chemie International Edition

IF0

2025-06-16

OAAI

Robin Sievers; Nico G. Kub; Tim-Niclas Streit; Dr. Marc Reimann; Dr. Günther Thiele; Prof. Dr. Martin Kaupp; Dr. Moritz Malischewski

Shifting Acetylene Hydrochlorination From the Gas to the Liquid Phase: Vinyl Chloride Production in Bichloride-Based Ionic Liquids 将乙炔氢氯化反应从气相转移到液相：基于二氯化物离子液体的氯乙烯生产

Advanced Science

IF14.1

2025-06-10

OAAI

Gesa H. Dreyhsig; Vera Giulimondi; Merlin Kleoff; Letizia Lanfredi; Maxim Fuchs; Niklas Limberg; Marc Reimann; Martin Kaupp; Javier Pérez-Ramírez; Sebastian Riedel

The Fluoride Ion Affinity Revisited: Do We Need the Anchor-Point Approach?氟离子亲和性再探讨：我们是否需要锚点方法？

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2025-04-22

OAAI

Lehmann, Morten; Balogun, Salimot Natalie; Reimann, Marc; Kaupp, Martin

Solvent-Dependent Reactivity of Fe(CO)5 under Superacidic and Oxidative Conditions 溶剂依赖性Fe(CO)5在超酸性和氧化条件下的反应性

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2025-01-14

OAAI

Berg, Willi R.; Reimann, Marc; Sievers, Robin; Rupf, Susanne M.; Schloegl, Johanna; Weisser, Kilian; Krause, Konstantin B.; Limberg, Christian; Kaupp, Martin

Data-Driven Improvement of Local Hybrid Functionals: Neural-Network-Based Local Mixing Functions and Power-Series Correlation Functionals

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-01-13

OAAI

Wodynski, Artur; Glodny, Kilian; Kaupp, Martin

Benchmark of Density Functional Theory in the Prediction of 13C Chemical Shielding Anisotropies for Anisotropic Nuclear Magnetic Resonance-Based Structural Elucidation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-01-06

OAAI

Ketzel, Anton Florian; Li, Xiaolu; Kaupp, Martin; Sun, Han; Schattenberg, Caspar Jonas