M
Matthew D. Wodrich
Researcher at École Polytechnique Fédérale de Lausanne
Publications - 86
Citations - 3824
Matthew D. Wodrich is an academic researcher from École Polytechnique Fédérale de Lausanne. The author has contributed to research in topics: Catalysis & Density functional theory. The author has an hindex of 30, co-authored 78 publications receiving 3146 citations. Previous affiliations of Matthew D. Wodrich include University of Giessen & École Polytechnique.
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Systematic errors in computed alkane energies using B3LYP and other popular DFT functionals.
TL;DR: Energies computed by B3LYP and other popular DFT functionals are flawed by systematic errors, which can become considerable for larger molecules, as illustrated by the isodesmic stabilization energies of n-alkanes.
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How accurate are DFT treatments of organic energies
Matthew D. Wodrich,Clémence Corminboeuf,Peter R. Schreiner,and Andrey A. Fokin,Paul von Ragué Schleyer +4 more
TL;DR: The performance of nine density functionals, compared by computing the bond separation energies of 72 illustrative hydrocarbons with available experimental data, reveals that only Zhao and Truhlar's recently proposed M05-2X functional, with a 2.13 kcal/mol average deviation from experiment, performs satisfactorily.
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Bimetallic Oxidative Addition Involving Radical Intermediates in Nickel-Catalyzed Alkyl–Alkyl Kumada Coupling Reactions
TL;DR: A mechanistic study of alkyl-alkyl Kumada coupling catalyzed by a preformed nickel(II) pincer complex ([(N2N)Ni-Cl]], where a transient species is identified as the key intermediate responsible for the activation ofAlkyl halide.
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Principles of electron capture and transfer dissociation mass spectrometry applied to peptide and protein structure analysis
TL;DR: This tutorial review describes the principles and practices of electron capture and transfer dissociation (ECD/ETD or ExD) mass spectrometry employed for peptide and protein structure analysis and provides practical guidelines for peptides de novo sequencing with ExD MS.
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The concept of protobranching and its many paradigm shifting implications for energy evaluations.
Matthew D. Wodrich,Chaitanya S. Wannere,Yirong Mo,Peter D. Jarowski,Kendall N. Houk,Paul von Ragué Schleyer +5 more
TL;DR: The BLW (block localized wavefunction) method, which localizes pi bonds and precludes their interactions, largely confirms these stabilization estimates for hyperconjugation, conjugation, and aromaticity for branched alkanes.