Hansen A - Search Results

1

Extension of the D3 and D4 London dispersion corrections to the full actinides series.

Wittmann L, Gordiy I, Friede M, Helmich-Paris B, Grimme S, Hansen A, Bursch M. Wittmann L, et al. Among authors: hansen a. Phys Chem Chem Phys. 2024 Aug 14;26(32):21379-21394. doi: 10.1039/d4cp01514b. Phys Chem Chem Phys. 2024. PMID: 39092890

2

Accurate theoretical chemistry with coupled pair models.

Neese F, Hansen A, Wennmohs F, Grimme S. Neese F, et al. Among authors: hansen a. Acc Chem Res. 2009 May 19;42(5):641-8. doi: 10.1021/ar800241t. Acc Chem Res. 2009. PMID: 19296607

3

Excited states using the simplified Tamm-Dancoff-Approach for range-separated hybrid density functionals: development and application.

Risthaus T, Hansen A, Grimme S. Risthaus T, et al. Among authors: hansen a. Phys Chem Chem Phys. 2014 Jul 28;16(28):14408-19. doi: 10.1039/c3cp54517b. Phys Chem Chem Phys. 2014. PMID: 24356212

4

The thermochemistry of london dispersion-driven transition metal reactions: getting the 'right answer for the right reason'.

Hansen A, Bannwarth C, Grimme S, Petrović P, Werlé C, Djukic JP. Hansen A, et al. ChemistryOpen. 2014 Oct;3(5):177-89. doi: 10.1002/open.201402017. Epub 2014 Sep 4. ChemistryOpen. 2014. PMID: 25478313 Free PMC article.

5

A practicable real-space measure and visualization of static electron-correlation effects.

Grimme S, Hansen A. Grimme S, et al. Among authors: hansen a. Angew Chem Int Ed Engl. 2015 Oct 12;54(42):12308-13. doi: 10.1002/anie.201501887. Epub 2015 Apr 16. Angew Chem Int Ed Engl. 2015. PMID: 25882895

6

Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

Grimme S, Brandenburg JG, Bannwarth C, Hansen A. Grimme S, et al. Among authors: hansen a. J Chem Phys. 2015 Aug 7;143(5):054107. doi: 10.1063/1.4927476. J Chem Phys. 2015. PMID: 26254642

7

Quantum chemical benchmark study on 46 RNA backbone families using a dinucleotide unit.

Kruse H, Mladek A, Gkionis K, Hansen A, Grimme S, Sponer J. Kruse H, et al. Among authors: hansen a. J Chem Theory Comput. 2015 Oct 13;11(10):4972-91. doi: 10.1021/acs.jctc.5b00515. Epub 2015 Sep 15. J Chem Theory Comput. 2015. PMID: 26574283

8

Co-C Bond Dissociation Energies in Cobalamin Derivatives and Dispersion Effects: Anomaly or Just Challenging?

Qu ZW, Hansen A, Grimme S. Qu ZW, et al. Among authors: hansen a. J Chem Theory Comput. 2015 Mar 10;11(3):1037-45. doi: 10.1021/acs.jctc.5b00007. J Chem Theory Comput. 2015. PMID: 26579755

9

Dispersion-Corrected Mean-Field Electronic Structure Methods.

Grimme S, Hansen A, Brandenburg JG, Bannwarth C. Grimme S, et al. Among authors: hansen a. Chem Rev. 2016 May 11;116(9):5105-54. doi: 10.1021/acs.chemrev.5b00533. Epub 2016 Apr 14. Chem Rev. 2016. PMID: 27077966 Free article.

10

The Fractional Occupation Number Weighted Density as a Versatile Analysis Tool for Molecules with a Complicated Electronic Structure.

Bauer CA, Hansen A, Grimme S. Bauer CA, et al. Among authors: hansen a. Chemistry. 2017 May 2;23(25):6150-6164. doi: 10.1002/chem.201604682. Epub 2017 Jan 16. Chemistry. 2017. PMID: 27906486

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