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Disambiguation of "Leonhard, Kai"

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Efficient Reaction Space Exploration with ChemTraYzer-TAD.

, , , , , and . J. Chem. Inf. Model., 62 (4): 890-902 (2022)

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Kai Leonhard

Kai-Kai Shen

Leonhard Peter

Leonhard Achner

Leonhard Miller

 

Other publications of authors with the same name

CAT-COSMO-CAMPD: Integrated in silico design of catalysts and processes based on quantum chemistry., , , , , and . Comput. Chem. Eng., (2021)Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations., , , , and . J. Chem. Inf. Model., 58 (7): 1343-1355 (2018)What is Wrong with Quantitative Structure-Property Relations Models Based on Three-Dimensional Descriptors?, , and . Journal of Chemical Information and Modeling, 52 (8): 1984-1993 (2012)Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine-quinoline complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (part III)., , , , , and . J. Comput. Chem., 44 (3): 319-328 (January 2023)Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration., , and . J. Chem. Inf. Model., 61 (12): 5853-5870 (2021)Efficient Reaction Space Exploration with ChemTraYzer-TAD., , , , , and . J. Chem. Inf. Model., 62 (4): 890-902 (2022)Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction., , , , , , and . CoRR, (2022)An experimental and kinetic modelling study of n-butyl formate combustion, , , , , , , , , and . Combustion and Flame, 160 (12): 2680 - 2692 (2013)Hydrogen Abstraction from n-Butyl Formate by H^. and HO2^., , , and . The Journal of Physical Chemistry A, 117 (31): 6757-6770 (2013)Physical pooling functions in graph neural networks for molecular property prediction., , , , , , and . Comput. Chem. Eng., (April 2023)