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Improved third-order Møller-Plesset perturbation theory.
Grimme S. Grimme S. J Comput Chem. 2003 Oct;24(13):1529-37. doi: 10.1002/jcc.10320. J Comput Chem. 2003. PMID: 12925997
Systematic quantum chemical study of DNA-base tautomers.
Piacenza M, Grimme S. Piacenza M, et al. J Comput Chem. 2004 Jan 15;25(1):83-99. doi: 10.1002/jcc.10365. J Comput Chem. 2004. PMID: 14634996
Targeted ferromagnetic coupling in a trinuclear copperII complex: analysis of the St = 3/2 spin ground state.
Glaser T, Heidemeier M, Grimme S, Bill E. Glaser T, et al. Inorg Chem. 2004 Aug 23;43(17):5192-4. doi: 10.1021/ic049252h. Inorg Chem. 2004. PMID: 15310193
This m-phenylene bridging mode results in ferromagnetic couplings with an S(t) = (3)/(2) spin ground state, which has been analyzed by means of EPR spectroscopy and DFT calculations. ...
This m-phenylene bridging mode results in ferromagnetic couplings with an S(t) = (3)/(2) spin ground state, which has been analyzed b …
The gas phase acidity of oligofluorobenzenes and oligochlorobenzenes: about the additivity or non-additivity of substituent effects.
Hyla-Kryspin I, Grimme S, Büker HH, Nibbering NM, Cottet F, Schlosser M. Hyla-Kryspin I, et al. Chemistry. 2005 Feb 4;11(4):1251-6. doi: 10.1002/chem.200400967. Chemistry. 2005. PMID: 15627948
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