Jan Halborg Jensen
Professor
ORCID: 0000-0002-1465-1010
1 - 5 out of 5Page size: 10
- 2022
- Published
A Neural Network Approach for Property Determination of Molecular Solar Cell Candidates
Christensen, Oliver, Schlosser, Rasmus Dalsgaard, Nielsen, R. B., Johansen, J., Koerstz, M., Jensen, Jan Halborg & Mikkelsen, Kurt Valentin, 2022, In: Journal of Physical Chemistry A. 126, 10, p. 8 1681 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Fast and automated identification of reactions with low barriers using meta-MD simulations
Rasmussen, Maria Harris & Jensen, Jan Halborg, 2022, In: PeerJ Physical Chemistry. 4, 17 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
RegioML: predicting the regioselectivity of electrophilic aromatic substitution reactions using machine learning
Ree, Nicolai, Göller, A. H. & Jensen, Jan Halborg, 2022, In: Digital Discovery. 1, 2, p. 108-114 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules
Garner, M. H., Koerstz, M., Jensen, Jan Halborg & Solomon, Gemma C., 14 Apr 2022, In: ACS Physical Chemistry Au. 2, 4, p. 282-288 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
What the Heck?-Automated Regioselectivity Calculations of Palladium-Catalyzed Heck Reactions Using Quantum Chemistry
Ree, Nicolai, Goeller, A. H. & Jensen, Jan Halborg, 2 Dec 2022, In: ACS Omega. 7, 49, p. 45617–45623 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 4057
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2312
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Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics
Research output: Contribution to journal › Journal article › Research › peer-review
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1767
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BioFET-SIM web interface: implementation and two applications
Research output: Contribution to journal › Journal article › Research › peer-review
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1658
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A computational method for the systematic screening of reaction barriers in enzymes: searching for Bacillus circulans xylanase mutants with greater activity towards a synthetic substrate
Research output: Contribution to journal › Journal article › Research › peer-review
Published