Corminboeuf C - Search Results

1

Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts.

Gallarati S, Fabregat R, Laplaza R, Bhattacharjee S, Wodrich MD, Corminboeuf C. Gallarati S, et al. Among authors: corminboeuf c. Chem Sci. 2021 Apr 3;12(20):6879-6889. doi: 10.1039/d1sc00482d. Chem Sci. 2021. PMID: 34123316 Free PMC article.

2

Evidence for d orbital aromaticity in square planar coinage metal clusters.

Wannere CS, Corminboeuf C, Wang ZX, Wodrich MD, King RB, Schleyer PV. Wannere CS, et al. Among authors: corminboeuf c. J Am Chem Soc. 2005 Apr 20;127(15):5701-5. doi: 10.1021/ja042716q. J Am Chem Soc. 2005. PMID: 15826211

3

Systematic errors in computed alkane energies using B3LYP and other popular DFT functionals.

Wodrich MD, Corminboeuf C, von Ragué Schleyer P. Wodrich MD, et al. Among authors: corminboeuf c. Org Lett. 2006 Aug 17;8(17):3631-4. doi: 10.1021/ol061016i. Org Lett. 2006. PMID: 16898778

4

How accurate are DFT treatments of organic energies?

Wodrich MD, Corminboeuf C, Schreiner PR, Fokin AA, von Ragué Schleyer P. Wodrich MD, et al. Among authors: corminboeuf c. Org Lett. 2007 May 10;9(10):1851-4. doi: 10.1021/ol070354w. Epub 2007 Apr 7. Org Lett. 2007. PMID: 17417862

5

Double aromaticity in monocyclic carbon, boron, and borocarbon rings based on magnetic criteria.

Wodrich MD, Corminboeuf C, Park SS, Schleyer Pv. Wodrich MD, et al. Among authors: corminboeuf c. Chemistry. 2007;13(16):4582-93. doi: 10.1002/chem.200700154. Chemistry. 2007. PMID: 17431868

6

Effects of halogen substitution on the properties of eight- and nine-vertex closo-boranes.

Corminboeuf C, Wodrich MD, King RB, von Ragué Schleyer P. Corminboeuf C, et al. Dalton Trans. 2008 Apr 7;(13):1745-51. doi: 10.1039/b716323a. Epub 2008 Feb 29. Dalton Trans. 2008. PMID: 18354772

7

Empirical corrections to density functional theory highlight the importance of nonbonded intramolecular interactions in alkanes.

Wodrich MD, Jana DF, Schleyer Pv, Corminboeuf C. Wodrich MD, et al. Among authors: corminboeuf c. J Phys Chem A. 2008 Nov 13;112(45):11495-500. doi: 10.1021/jp806619z. Epub 2008 Oct 17. J Phys Chem A. 2008. PMID: 18925729

8

Reaction enthalpies using the neural-network-based X1 approach: the important choice of input descriptors.

Wodrich MD, Corminboeuf C. Wodrich MD, et al. Among authors: corminboeuf c. J Phys Chem A. 2009 Apr 2;113(13):3285-90. doi: 10.1021/jp9002005. J Phys Chem A. 2009. PMID: 19275214

9

How strained are carbomeric-cycloalkanes?

Wodrich MD, Gonthier JF, Steinmann SN, Corminboeuf C. Wodrich MD, et al. Among authors: corminboeuf c. J Phys Chem A. 2010 Jun 24;114(24):6705-12. doi: 10.1021/jp1029322. J Phys Chem A. 2010. PMID: 20486677

10

Branched alkanes have contrasting stabilities.

Gonthier JF, Wodrich MD, Steinmann SN, Corminboeuf C. Gonthier JF, et al. Among authors: corminboeuf c. Org Lett. 2010 Jul 2;12(13):3070-3. doi: 10.1021/ol1010642. Org Lett. 2010. PMID: 20521826

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