default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDStefan Grimme
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2020 – today
- 2024
[j21]Christoph Plett
, Stefan Grimme, Andreas Hansen:
Conformational energies of biomolecules in solution: Extending the MPCONF196 benchmark with explicit water molecules. J. Comput. Chem. 45(7): 419-429 (2024)- [j20]Sergey A. Katsyuba, Stefan Grimme:
Structure and intermolecular interactions in ionic liquid 1-ethyl-3-methylimidazolium bromide and its aqueous solutions investigated by vibrational spectroscopy and quantum chemical computations. J. Comput. Chem. 45(32): 2719-2726 (2024) - [j19]Christian Hölzer, Igor Gordiy, Stefan Grimme, Markus Bursch:
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set. J. Chem. Inf. Model. 64(3): 825-836 (2024) - [j18]Christian Hölzer, Rick Oerder, Stefan Grimme, Jan Hamaekers:
ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training. J. Chem. Inf. Model. 64(23): 8909-8925 (2024) - 2023
- [j17]Julia Kohn, Markus Bursch, Andreas Hansen, Stefan Grimme:
Computational study of ground-state properties of μ2-bridged group 14 porphyrinic sandwich complexes. J. Comput. Chem. 44(3): 229-239 (2023) - [j16]Hagen Neugebauer, Benedikt Bädorf, Sebastian Ehlert, Andreas Hansen, Stefan Grimme:
High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods. J. Comput. Chem. 44(27): 2120-2129 (2023) - 2022
- [j15]Sergey A. Katsyuba, Tatiana P. Gerasimova, Sebastian Spicher, Fabian Bohle, Stefan Grimme:
Computer-aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution. J. Comput. Chem. 43(4): 279-288 (2022)
2010 – 2019
- 2018
- [j14]Philipp Pracht, Rainer Wilcken, Anikó Udvarhelyi, Stephane Rodde, Stefan Grimme:
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge. J. Comput. Aided Mol. Des. 32(10): 1139-1149 (2018) - 2017
- [j13]Philipp Pracht, Christoph Alexander Bauer, Stefan Grimme:
Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites. J. Comput. Chem. 38(30): 2618-2631 (2017) - 2014
- [j12]Tobias Risthaus, Marc Steinmetz, Stefan Grimme:
Implementation of nuclear gradients of range-separated hybrid density functionals and benchmarking on rotational constants for organic molecules. J. Comput. Chem. 35(20): 1509-1516 (2014) - 2013
- [j11]Rebecca Sure, Stefan Grimme:
Corrected small basis set Hartree-Fock method for large systems. J. Comput. Chem. 34(19): 1672-1685 (2013) - 2012
- [j10]Jens Antony, Stefan Grimme:
Fully ab initio protein-ligand interaction energies with dispersion corrected density functional theory. J. Comput. Chem. 33(21): 1730-1739 (2012) - [j9]Waldemar Hujo, Stefan Grimme:
Performance of dispersion-corrected density functional theory for thermochemistry and non-covalent interactions. J. Cheminformatics 4(S-1): 56 (2012) - 2011
- [j8]Stefan Grimme, Stephan Ehrlich, Lars Goerigk:
Effect of the damping function in dispersion corrected density functional theory. J. Comput. Chem. 32(7): 1456-1465 (2011)
2000 – 2009
- 2007
- [j7]Manuel Piacenza, I. Hyla-Kryspin, Stefan Grimme:
A comparative quantum chemical study of the ruthenium catalyzed olefin metathesis. J. Comput. Chem. 28(14): 2275-2285 (2007) - 2006
- [j6]Stefan Grimme:
Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comput. Chem. 27(15): 1787-1799 (2006) - 2004
- [j5]Manuel Piacenza, Stefan Grimme:
Systematic quantum chemical study of DNA-base tautomers. J. Comput. Chem. 25(1): 83-99 (2004) - [j4]Stefan Grimme:
Accurate description of van der Waals complexes by density functional theory including empirical corrections. J. Comput. Chem. 25(12): 1463-1473 (2004) - [j3]C. Diedrich, S. Causemann, Stefan Grimme:
Density functional calculations of the frequency-dependent optical rotation: Comparison of theory and experiment for the gas phase. J. Comput. Methods Sci. Eng. 4(3): 293-300 (2004) - 2003
- [j2]Stefan Grimme:
Improved third-order Møller-Plesset perturbation theory. J. Comput. Chem. 24(13): 1529-1537 (2003)
1990 – 1999
- 1994
- [j1]Stefan Grimme:
MRD-CI Studies of Vertical Excitation Energies of Unsaturated Hydrocarbon Molecules. J. Comput. Chem. 15(4): 424-432 (1994)
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from 
to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the 
of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from 
, 
, and 
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from 
.
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2025-01-21 00:01 CET by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
