Andreas Hansen

ScholarGPS® ID: 29153984906151

Highly Ranked Scholar - Prior Five Years:

#27

Chemical physics

Affiliation

University of Bonn, Bonn, Germany

Affiliation History

Field

Physical Sciences and Mathematics

Discipline

Chemistry

Top Specialties

Metrics Summary

Publication Count

Predicted Citations

16,447

Predicted h-index

Ranking

Publications and Citation History

Publications based on Top Specialties

Types of Publication

Publications
Books
Patents
NIH/NSF

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The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizations (journal article) Gasevic, Thomas \| Bursch, Markus \| Ma, Qianli \| Grimme, Stefan \| Werner, Hans-Joachim \| Hansen, Andreas Physical Chemistry Chemical Physics, volume 26, issue 18, pages 13884-13908 (2024). 10.1039/D3CP06217A Cite \| Source
Conformational energies of biomolecules in solution: Extending the MPCONF196 benchmark with explicit water molecules (journal article) Plett, Christoph \| Grimme, Stefan \| Hansen, Andreas Journal of Computational Chemistry, volume 45, issue 7, pages 419-429 (2024). 10.1002/jcc.27248 Cited by (4) \| Cite \| Source
Flexible Phenanthracene Nanotubes for Explosive Detection (journal article) Rickert, Simon C. \| Luo, Shao-Xiong Lennon \| Bahr, Joshua \| Kohn, Julia \| Xue, Mantian \| Hansen, Andreas \| Grimme, Stefan \| Jester, Stefan-S. \| Swager, Timothy M. \| Höger, Sigurd Journal of the American Chemical Society, volume 146, issue 5, pages 2986-2996 (2024). 10.1021/jacs.3c08131 Cited by (1) \| Cite \| Source
Confined Lewis Pairs: Investigation of the X− →Si20 Interaction in Halogen‐Encapsulating Silafulleranes (journal article) Gasevic, Thomas \| Bamberg, Marcel \| Wicke, Julius \| Bolte, Michael \| Virovets, Alexander \| Lerner, Hans‐Wolfram \| Grimme, Stefan \| Hansen, Andreas \| Wagner, Matthias \| Bursch, Markus Angewandte Chemie, volume 136, issue 6 (2024). 10.1002/ange.202314238 Cite \| Source
Confined Lewis Pairs: Investigation of the X− →Si20 Interaction in Halogen‐Encapsulating Silafulleranes (journal article) Gasevic, Thomas \| Bamberg, Marcel \| Wicke, Julius \| Bolte, Michael \| Virovets, Alexander \| Lerner, Hans‐Wolfram \| Grimme, Stefan \| Hansen, Andreas \| Wagner, Matthias \| Bursch, Markus Angewandte Chemie International Edition, volume 63, issue 6 (2024). 10.1002/anie.202314238 Cited by (1) \| Cite \| Source
Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl Compounds (journal article) Bursch, Markus \| Grimme, Stefan \| Hansen, Andreas Accounts of Chemical Research, volume 57, issue 1, pages 153-163 (2024). 10.1021/acs.accounts.3c00634 Cited by (4) \| Cite \| Source
An atom-in-molecule adaptive polarized valence single- ζ atomic orbital basis for electronic structure calculations (journal article) Müller, Marcel \| Hansen, Andreas \| Grimme, Stefan The Journal of Chemical Physics, volume 159, issue 16 (2023). 10.1063/5.0172373 Cited by (4) \| Cite \| Source
Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA (journal article) Werner, Hans-Joachim \| Hansen, Andreas Journal of Chemical Theory and Computation, volume 19, issue 20, pages 7007-7030 (2023). 10.1021/acs.jctc.3c00270 Cited by (11) \| Cite \| Source
Essential Roles of Cp Ring Activation and Coordinated Solvent During Electrocatalytic H2 Production with Fe(CpN3 ) Complexes (journal article) Goel, Bhumika \| Neugebauer, Hagen \| VanderWeide, Andrew I. \| Sánchez, Práxedes \| Lalancette, Roger A. \| Grimme, Stefan \| Hansen, Andreas \| Prokopchuk, Demyan E. ACS Catalysis, volume 13, issue 20, pages 13650-13662 (2023). 10.1021/acscatal.3c02911 Cited by (1) \| Cite \| Source
Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysis (journal article) Nieman, Reed \| Carvalho, Jhonatas R. \| Jayee, Bhumika \| Hansen, Andreas \| Aquino, Adelia J. A. \| Kertesz, Miklos \| Lischka, Hans Physical Chemistry Chemical Physics, volume 25, issue 40, pages 27380-27393 (2023). 10.1039/D3CP03734G Cited by (4) \| Cite \| Source
High‐throughput screening of spin states for transition metal complexes with spin‐polarized extended tight‐binding methods (journal article) Neugebauer, Hagen \| Bädorf, Benedikt \| Ehlert, Sebastian \| Hansen, Andreas \| Grimme, Stefan Journal of Computational Chemistry, volume 44, issue 27, pages 2120-2129 (2023). 10.1002/jcc.27185 Cited by (5) \| Cite \| Source
Toward Benchmark-Quality Ab Initio Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC (journal article) Neugebauer, Hagen \| Vuong, Hung T. \| Weber, John L. \| Friesner, Richard A. \| Shee, James \| Hansen, Andreas Journal of Chemical Theory and Computation, volume 19, issue 18, pages 6208-6225 (2023). 10.1021/acs.jctc.3c00617 Cited by (10) \| Cite \| Source
Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs (journal article) Sieland, Benedikt \| Stahn, Marcel \| Schoch, Roland \| Daniliuc, Constantin \| Spicher, Sebastian \| Grimme, Stefan \| Hansen, Andreas \| Paradies, Jan Angewandte Chemie International Edition, volume 62, issue 35 (2023). 10.1002/anie.202308752 Cited by (2) \| Cite \| Source
Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs (journal article) Sieland, Benedikt \| Stahn, Marcel \| Schoch, Roland \| Daniliuc, Constantin \| Spicher, Sebastian \| Grimme, Stefan \| Hansen, Andreas \| Paradies, Jan Angewandte Chemie, volume 135, issue 35 (2023). 10.1002/ange.202308752 Cite \| Source
A non-self-consistent tight-binding electronic structure potential in a polarized double- ζ basis set for all spd -block elements up to Z = 86 (journal article) Grimme, Stefan \| Müller, Marcel \| Hansen, Andreas The Journal of Chemical Physics, volume 158, issue 12 (2023). 10.1063/5.0137838 Cited by (6) \| Cite \| Source
Computational study of ground‐state properties of μ2 ‐bridged group 14 porphyrinic sandwich complexes (journal article) Kohn, Julia \| Bursch, Markus \| Hansen, Andreas \| Grimme, Stefan Journal of Computational Chemistry, volume 44, issue 3, pages 229-239 (2023). 10.1002/jcc.26870 Cited by (1) \| Cite \| Source
ω B97X-3c: A composite range-separated hybrid DFT method with a molecule-optimized polarized valence double- ζ basis set (journal article) Müller, Marcel \| Hansen, Andreas \| Grimme, Stefan The Journal of Chemical Physics, volume 158, issue 1 (2023). 10.1063/5.0133026 Cited by (32) \| Cite \| Source
Reliable prediction of association (free) energies of supramolecular complexes with heavy main group elements – the HS13L benchmark set (journal article) Gorges, Johannes \| Grimme, Stefan \| Hansen, Andreas Physical Chemistry Chemical Physics, volume 24, issue 47, pages 28831-28843 (2022). 10.1039/D2CP04049B Cited by (6) \| Cite \| Source
Electronic Effects of Aminoindenyl Ligands Coordinated to Manganese: Structures and Properties of a Mn0 Metalloradical and Bimetallic Mn–I /MnI Adduct (journal article) Tresp, David S. \| Neugebauer, Hagen \| Grimme, Stefan \| Hansen, Andreas \| Prokopchuk, Demyan E. Organometallics, volume 41, issue 21, pages 3055-3063 (2022). 10.1021/acs.organomet.2c00463 Cited by (5) \| Cite \| Source
Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry (journal article) Bursch, Markus** \| Mewes, Jan‐Michael \| Hansen, Andreas \| Grimme, Stefan Angewandte Chemie, volume 134, issue 42 (2022). 10.1002/ange.202205735 Cited by (50) \| Cite \| Source