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18 results in Authors: Jan H. Jensen

Theoretical and Computational Chemistry

Working Paper

Substituent Control of σ-interference Effects in the Transmission of Saturated Molecules

Marc H. Garner, Mads Koerstz, Jan H. Jensen, Gemma C. Solomon

190

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Theoretical and Computational Chemistry

Working Paper

Fast and automated identification of reactions with low barriers using meta-MD simulations

Maria H. Rasmussen, Jan H. Jensen

307

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Theoretical and Computational Chemistry

Working Paper

RegioML: Predicting the regioselectivity of electrophilic aromatic substitution reactions using machine learning

Nicolai Ree, Andreas H. Göller, Jan H. Jensen

458

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Theoretical and Computational Chemistry

Working Paper

Graph-based Genetic Algorithm and Generative Model/Monte Carlo Tree Search for the Exploration of Chemical Space

Jan H. Jensen

2,171

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Theoretical and Computational Chemistry

Working Paper

Virtual screening of norbornadiene-based molecular solar thermal energy storage systems using a genetic algorithm

Nicolai Ree, Mads Koerstz, Kurt V. Mikkelsen, Jan H. Jensen

285

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Theoretical and Computational Chemistry

Working Paper

The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-molecule Insulators

Marc H. Garner, Mads Koerstz, Jan H. Jensen, Gemma C. Solomon

112

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Theoretical and Computational Chemistry

Working Paper

RegioSQM20: Improved Prediction of the Regioselectivity of Electrophilic Aromatic Substitutions

Nicolai Ree, Andreas Gõller, Jan H. Jensen

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Citations

Theoretical and Computational Chemistry

Working Paper

Computational evolution of new catalysts for the Morita–Baylis–Hillman reaction

Julius Seumer, Jonathan Kirschner Solberg Hansen, Mogens Brøndsted Nielsen, Jan H. Jensen

558

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Theoretical and Computational Chemistry

Working Paper

Fast and Automatic Estimation of Transition State Structures Using Tight Binding Quantum Chemical Calculations

Maria Harris Rasmussen, Jan H. Jensen

104

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Theoretical and Computational Chemistry

Working Paper

Random Versus Systematic Errors in Reaction Enthalpies Computed Using Semi-empirical and Minimal Basis Set Methods

Jimmy Kromann, Alexander Welford, Anders Steen Christensen, Jan H. Jensen

114

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18 results in Jan H. Jensen in Authors: Jan H. Jensen

Substituent Control of σ-interference Effects in the Transmission of Saturated Molecules

Fast and automated identification of reactions with low barriers using meta-MD simulations

RegioML: Predicting the regioselectivity of electrophilic aromatic substitution reactions using machine learning

Graph-based Genetic Algorithm and Generative Model/Monte Carlo Tree Search for the Exploration of Chemical Space

Virtual screening of norbornadiene-based molecular solar thermal energy storage systems using a genetic algorithm

The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-molecule Insulators

RegioSQM20: Improved Prediction of the Regioselectivity of Electrophilic Aromatic Substitutions

Computational evolution of new catalysts for the Morita–Baylis–Hillman reaction

Fast and Automatic Estimation of Transition State Structures Using Tight Binding Quantum Chemical Calculations

Random Versus Systematic Errors in Reaction Enthalpies Computed Using Semi-empirical and Minimal Basis Set Methods

18 results in Authors: Jan H. Jensen