Clémence Corminbœuf - Researcher Profile

Publications

2 shown

Systematic Errors in Computed Alkane Energies Using B3LYP and Other Popular DFT Functionals

Matthew D. Wodrich , Clémence Corminbœuf , Paul von Ragué Schleyer

[structure: see text] Energies computed by B3LYP and other popular DFT functionals are flawed by systematic errors, which can become considerable for larger molecules. These err...

2006 Organic Letters 412 citations

How Accurate Are DFT Treatments of Organic Energies?

Matthew D. Wodrich , Clémence Corminbœuf , Peter R. Schreiner +2 more

Increasing awareness that popular functionals fail to describe many energies accurately has ended expectations of black-box DFT usage. The performance of nine density functional...

2007 Organic Letters 273 citations

Frequent Co-Authors

Researcher Info

h-index: 2
Publications: 2
Citations: 685
Institution: University of Georgia

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Identifiers

ORCID: 0000-0001-7993-2879

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h-index 2

h-index: Number of publications with at least h citations each.

Publications

Systematic Errors in Computed Alkane Energies Using B3LYP and Other Popular DFT Functionals

How Accurate Are DFT Treatments of Organic Energies?

Frequent Co-Authors

Matthew D. Wodrich

Paul von Ragué Schleyer

Peter R. Schreiner

Andrey A. Fokin

Researcher Info

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