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Christoph A Bauer

Showing results (1-10 of 7) with videos related to

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Journal of Chemical Information and Modeling|August 15, 2019
How to Model Inter- and Intramolecular Hydrogen Bond Strengths with Quantum ChemistryChristoph A Bauer
Physical Chemistry Chemical Physics : PCCP|November 4, 2016
Unimolecular decomposition pathways of negatively charged nitriles by ab initio molecular dynamicsVilhjálmur Ásgeirsson, Christoph A Bauer, Stefan Grimme
Chemical Science|September 30, 2017
Quantum chemical calculation of electron ionization mass spectra for general organic and inorganic moleculesVilhjálmur Ásgeirsson, Christoph A Bauer, Stefan Grimme
Journal of Cheminformatics|January 12, 2021
Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energiesChristoph A Bauer, Gisbert Schneider, Andreas H Göller
Molecular Informatics|November 27, 2018
Gaussian Process Regression Models for the Prediction of Hydrogen Bond Acceptor StrengthsChristoph A Bauer, Gisbert Schneider, Andreas H Göller
Journal of Chemical Information and Modeling|September 10, 2025
Precedent Finder: Locating Pareto-Optimal ReactionsChristoph A Bauer, Thierry Kogej, Samuel Genheden, et al.
Molecular Informatics|October 31, 2019
ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening PerformanceNingning Fan, Christoph A Bauer, Conrad Stork, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|August 15, 2019
How to Model Inter- and Intramolecular Hydrogen Bond Strengths with Quantum ChemistryChristoph A Bauer
Physical Chemistry Chemical Physics : PCCP|November 4, 2016
Unimolecular decomposition pathways of negatively charged nitriles by ab initio molecular dynamicsVilhjálmur Ásgeirsson, Christoph A Bauer, Stefan Grimme
Chemical Science|September 30, 2017
Quantum chemical calculation of electron ionization mass spectra for general organic and inorganic moleculesVilhjálmur Ásgeirsson, Christoph A Bauer, Stefan Grimme
Journal of Cheminformatics|January 12, 2021
Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energiesChristoph A Bauer, Gisbert Schneider, Andreas H Göller
Molecular Informatics|November 27, 2018
Gaussian Process Regression Models for the Prediction of Hydrogen Bond Acceptor StrengthsChristoph A Bauer, Gisbert Schneider, Andreas H Göller
Journal of Chemical Information and Modeling|September 10, 2025
Precedent Finder: Locating Pareto-Optimal ReactionsChristoph A Bauer, Thierry Kogej, Samuel Genheden, et al.
Molecular Informatics|October 31, 2019
ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening PerformanceNingning Fan, Christoph A Bauer, Conrad Stork, et al.
Pageof 1