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Maximilian Kubillus

Showing results (1-10 of 5) with videos related to

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Journal of Chemical Theory and Computation|February 19, 2016
Parameterization of the DFTB3 method for Br, Ca, Cl, F, I, K, and Na in organic and biological systemsMaximilian Kubillus, Tomáš Kubař, Michael Gaus, et al.
Physical Chemistry Chemical Physics : PCCP|July 1, 2017
Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics methodHiroshi C Watanabe, Maximilian Kubillus, Tomáš Kubař, et al.
Journal of Chemical Theory and Computation|March 27, 2018
Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine LearningJulian J Kranz, Maximilian Kubillus, Raghunathan Ramakrishnan, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Quantum effects in cation interactions with first and second coordination shell ligands in metalloproteinsVan Ngo, Mauricio C da Silva, Maximilian Kubillus, et al.
Journal of Chemical Theory and Computation|December 13, 2017
Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic MoleculesVan Quan Vuong, Jissy Akkarapattiakal Kuriappan, Maximilian Kubillus, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|February 19, 2016
Parameterization of the DFTB3 method for Br, Ca, Cl, F, I, K, and Na in organic and biological systemsMaximilian Kubillus, Tomáš Kubař, Michael Gaus, et al.
Physical Chemistry Chemical Physics : PCCP|July 1, 2017
Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics methodHiroshi C Watanabe, Maximilian Kubillus, Tomáš Kubař, et al.
Journal of Chemical Theory and Computation|March 27, 2018
Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine LearningJulian J Kranz, Maximilian Kubillus, Raghunathan Ramakrishnan, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Quantum effects in cation interactions with first and second coordination shell ligands in metalloproteinsVan Ngo, Mauricio C da Silva, Maximilian Kubillus, et al.
Journal of Chemical Theory and Computation|December 13, 2017
Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic MoleculesVan Quan Vuong, Jissy Akkarapattiakal Kuriappan, Maximilian Kubillus, et al.
Pageof 1