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- Stefan Grimme

Chemistry

Germany

2023

Discipline name
D-index
D-index (Discipline H-index) only includes papers and citation values for an examined
discipline in contrast to General H-index which accounts for publications across all
disciplines.
Citations
Publications
World Ranking
National Ranking

Chemistry
D-index
132
Citations
139,354
688
World Ranking
140
National Ranking
13

2023 - Research.com Chemistry in Germany Leader Award

2018 - German National Academy of Sciences Leopoldina - Deutsche Akademie der Naturforscher Leopoldina – Nationale Akademie der Wissenschaften Chemistry

- Organic chemistry
- Quantum mechanics
- Molecule

His primary scientific interests are in Density functional theory, Computational chemistry, Statistical physics, Basis set and Atomic physics. His Density functional theory research is multidisciplinary, relying on both Ab initio and van der Waals force, London dispersion force. In his work, Intramolecular force is strongly intertwined with Dispersion, which is a subfield of London dispersion force.

Stefan Grimme has included themes like Non-covalent interactions, Molecular physics, Ab initio quantum chemistry methods and Thermodynamics in his Computational chemistry study. His study in Statistical physics is interdisciplinary in nature, drawing from both Electronic correlation, Thermochemistry, Atomic orbital, Electronic structure and Computation. His Atomic physics study combines topics in areas such as Atom and Coupled cluster.

- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu (16266 citations)
- Semiempirical GGA-type density functional constructed with a long-range dispersion correction. (15354 citations)
- Effect of the damping function in dispersion corrected density functional theory (6907 citations)

His main research concerns Density functional theory, Computational chemistry, Stereochemistry, Crystallography and Molecule. His Density functional theory research includes themes of Molecular physics, Statistical physics, London dispersion force and Atomic physics. His research integrates issues of Electronic structure, Quantum mechanics and Computation in his study of Statistical physics.

Stefan Grimme combines subjects such as Chemical physics, Electronic correlation, Non-covalent interactions, Thermodynamics and Ab initio with his study of Computational chemistry. While the research belongs to areas of Stereochemistry, he spends his time largely on the problem of Medicinal chemistry, intersecting his research to questions surrounding Frustrated Lewis pair, Borane, Catalysis, Yield and Lewis acids and bases. His Crystallography study frequently involves adjacent topics like Intramolecular force.

- Density functional theory (25.04%)
- Computational chemistry (23.52%)
- Stereochemistry (17.15%)

- Density functional theory (25.04%)
- Catalysis (9.86%)
- Molecule (14.11%)

The scientist’s investigation covers issues in Density functional theory, Catalysis, Molecule, Crystallography and Combinatorial chemistry. The concepts of his Density functional theory study are interwoven with issues in Chemical physics, Computational physics, Quantum, Statistical physics and Computation. His Statistical physics research focuses on subjects like Atomic orbital, which are linked to Basis set.

His Catalysis research is multidisciplinary, relying on both Photochemistry, Steric effects and Medicinal chemistry. Stefan Grimme interconnects Ligand, Fullerene, Enantiomer and London dispersion force in the investigation of issues within Crystallography. His London dispersion force study incorporates themes from Non-covalent interactions, Hybrid functional, Intramolecular force and Dispersion.

- GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions. (280 citations)
- A generally applicable atomic-charge dependent London dispersion correction (119 citations)
- B97-3c: A revised low-cost variant of the B97-D density functional method. (101 citations)

- Organic chemistry
- Quantum mechanics
- Catalysis

Stefan Grimme mainly investigates Chemical physics, Quantum chemistry, London dispersion force, Density functional theory and Catalysis. His London dispersion force research incorporates themes from Lattice energy, Dispersion and Coupled cluster. The various areas that Stefan Grimme examines in his Density functional theory study include Gaussian process, Atomic orbital, Valence, Statistical physics and Hyperpolarizability.

His work carried out in the field of Statistical physics brings together such families of science as Molecule, Implicit solvation, Electronic structure and Computation. His Catalysis research integrates issues from Oxalyl chloride, Medicinal chemistry and Amine gas treating. As a part of the same scientific study, Stefan Grimme usually deals with the Medicinal chemistry, concentrating on Borane and frequently concerns with Crystallography.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme;Jens Antony;Stephan Ehrlich;Helge Krieg.

Journal of Chemical Physics **(2010)**

30054 Citations

Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

Stefan Grimme.

Journal of Computational Chemistry **(2006)**

23456 Citations

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme;Stephan Ehrlich;Lars Goerigk.

Journal of Computational Chemistry **(2011)**

13296 Citations

Accurate description of van der Waals complexes by density functional theory including empirical corrections

Stefan Grimme.

Journal of Computational Chemistry **(2004)**

4862 Citations

Semiempirical hybrid density functional with perturbative second-order correlation

Stefan Grimme.

Journal of Chemical Physics **(2006)**

2970 Citations

Density functional theory with London dispersion corrections

Stefan Grimme.

Wiley Interdisciplinary Reviews: Computational Molecular Science **(2011)**

2196 Citations

Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies

Stefan Grimme.

Journal of Chemical Physics **(2003)**

1844 Citations

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

Lars Goerigk;Stefan Grimme.

Physical Chemistry Chemical Physics **(2011)**

1698 Citations

Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

Lars Goerigk;Stefan Grimme.

Journal of Chemical Theory and Computation **(2011)**

1314 Citations

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

Stefan Grimme.

Chemistry: A European Journal **(2012)**

1201 Citations

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