Jan Halborg Jensen
Professor
ORCID: 0000-0002-1465-1010
1 - 5 out of 5Page size: 10
- 2018
- Published
Empirical corrections and pair interaction energies in the fragment molecular orbital method
Fedorov, D. G., Kromann, J. C. & Jensen, Jan Halborg, 2018, In: Chemical Physics Letters. 706, p. 328-333 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactions
Kromann, J. C., Jensen, Jan Halborg, Kruszyk, M., Jessing, M. & Jørgensen, M., 2018, In: Chemical Science. 9, 3, p. 660-665 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set Methods
Kromann, J. C., Welford, A., Christensen, A. S. & Jensen, Jan Halborg, 2018, In: ACS Omega. 3, 4, p. 4372-4377 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-Molecule Insulators
Garner, M. H., Koerstz, M., Jensen, Jan Halborg & Solomon, Gemma C., 2018, In: The Journal of Physical Chemistry Letters. 9, 24, p. 6941-6947 7 p.Research output: Contribution to journal › Letter › Research › peer-review
- Published
Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods
Kromann, J. C., Steinmann, C. & Jensen, Jan Halborg, 14 Sep 2018, In: Journal of Chemical Physics. 149, 10, 8 p., 104102 .Research output: Contribution to journal › Journal article › Research › peer-review
ID: 4057
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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