M. Wodrich

发表

Data Mining the C−C Cross‐Coupling Genome

C. Corminboeuf, Boodsarin Sawatlon, M. Wodrich, 2019, ChemCatChem.

Branched alkanes have contrasting stabilities.

Matthew D. Wodrich, Jérôme F Gonthier, C. Corminboeuf, 2010, Organic letters.

Quantification of “Fuzzy” Chemical Concepts: A Computational Perspective

Jérôme F Gonthier, C. Corminboeuf, M. Wodrich, 2012 .

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

Clémence Corminboeuf, Matthew D. Wodrich, C. Corminboeuf, 2006, Organic letters.

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

C. Corminboeuf, M. Wodrich, 2009, The journal of physical chemistry. A.

Data-powered augmented volcano plots for homogeneous catalysis

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2020, Chemical science.

On the Generality of Molecular Volcano Plots

Matthew D. Wodrich, C. Corminboeuf, Boodsarin Sawatlon, 2018 .

Expedited Screening of Active and Regioselective Catalysts for the Hydroformylation Reaction

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2018, Helvetica Chimica Acta.

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

Matthew D. Wodrich, P. Schleyer, C. Corminboeuf, 2007, Chemistry.

Reconstitution of [Fe]-hydrogenase using model complexes.

S. Shima, M. Wodrich, Xile Hu, 2015, Nature chemistry.

A Functional Model of [Fe]-Hydrogenase.

Matthew D. Wodrich, R. Scopelliti, M. Wodrich, 2016, Journal of the American Chemical Society.

Natural inspirations for metal–ligand cooperative catalysis

Matthew D. Wodrich, M. Wodrich, Xile Hu, 2018 .

The atomic-resolution crystal structure of activated [Fe]-hydrogenase

Matthew D. Wodrich, S. Shima, U. Ermler, 2019, Nature Catalysis.

Bimetallic oxidative addition involving radical intermediates in nickel-catalyzed alkyl-alkyl Kumada coupling reactions.

Matthew D. Wodrich, M. Wodrich, Xile Hu, 2013, Journal of the American Chemical Society.

Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes

Matthew D. Wodrich, C. Corminboeuf, Shubhajit Das, 2022, Nature Protocols.

A catalytically active [Mn]-hydrogenase incorporating a non-native metal cofactor

Matthew D. Wodrich, S. Shima, M. Wodrich, 2019, Nature Chemistry.

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

P. Schleyer, R. King, C. Corminboeuf, 2005, Journal of the American Chemical Society.

How large is the conjugative stabilization of diynes?

K. Houk, P. Schleyer, M. Wodrich, 2004, Journal of the American Chemical Society.

Sequential N-O and N-N bond cleavage of N-heterocyclic carbene-activated nitrous oxide with a vanadium complex.

R. Scopelliti, M. Wodrich, K. Severin, 2012, Journal of the American Chemical Society.

Physics-based representations for machine learning properties of chemical reactions

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2022, Mach. Learn. Sci. Technol..

Structure-correlation principles connecting ground state properties and reaction barrier heights for the Cope rearrangement of semibullvalenes.

C. Corminboeuf, M. Wodrich, D. F. Jana, 2012, The Journal of organic chemistry.

Ligand-controlled regiodivergent pathways of rhodium(III)-catalyzed dihydroisoquinolone synthesis: experimental and computational studies of different cyclopentadienyl ligands.

Matthew D. Wodrich, Jérôme F Gonthier, C. Corminboeuf, 2014, Chemistry.

Diversifying Metal–Ligand Cooperative Catalysis in Semi‐Synthetic [Mn]‐Hydrogenases

Matthew D. Wodrich, S. Shima, M. Wodrich, 2021, Angewandte Chemie.

Stereoselective synthesis of alkyl-, aryl-, vinyl- and alkynyl-substituted Z-enamides and enol ethers† †Electronic supplementary information (ESI) available: Experimental and computational data. CCDC 1876011. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8sc05

M. Wodrich, R. Tessier, J. Waser, 2019, Chemical science.

Supporting Information

M. Wodrich, N. Cramer, B. Audic, 2002 .

A β-Carbon elimination strategy for convenient in situ access to cyclopentadienyl metal complexes† †Electronic supplementary information (ESI) available: Experimental procedures and characterisation of all new compounds. See DOI: 10.1039/c7sc02986a Click here for additional data file.

C. Corminboeuf, M. Wodrich, N. Cramer, 2017, Chemical science.

Covalent capture of nitrous oxide by N-heterocyclic carbenes.

Matthew D. Wodrich, R. Scopelliti, M. Wodrich, 2012, Angewandte Chemie.

General and practical formation of thiocyanates from thiols.

Matthew D. Wodrich, M. Wodrich, J. Waser, 2015, Chemistry.

Corrigendum: Ligand-Controlled Regio-divergent Pathways of Rhodium(III)-Catalyzed Dihydroisoquinolone Synthesis - Experimental and Computational Studies of Different Cyclopentadienyls.

Jérôme F Gonthier, C. Corminboeuf, M. Wodrich, 2020, Chemistry.

Room temperature decarboxylative cyanation of carboxylic acids using photoredox catalysis and cyanobenziodoxolones: a divergent mechanism compared to alkynylation† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04907a Click here for additional data file.

M. Wodrich, J. Waser, Franck Le Vaillant, 2016, Chemical science.

Accessing and predicting the kinetic profiles of homogeneous catalysts from volcano plots

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2016, Chemical science.

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

R. King, C. Corminboeuf, M. Wodrich, 2008, Dalton transactions.

Improving the Thermodynamic Profiles of Prospective Suzuki–Miyaura Cross‐Coupling Catalysts by Altering the Electrophilic Coupling Component

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2018 .

Iron Pincer Complexes as Catalysts and Intermediates in Alkyl–Aryl Kumada Coupling Reactions

Matthew D. Wodrich, R. Scopelliti, M. Wodrich, 2015 .

Bimetallic Oxidative Addition in Nickel-Catalyzed Alkyl–Aryl Kumada Coupling Reactions

Matthew D. Wodrich, M. Wodrich, Xile Hu, 2014 .

A Generalized Picture of C-C Cross-Coupling

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2017 .

Nickel pincer model of the active site of lactate racemase involves ligand participation in hydride transfer

C. Corminboeuf, R. Scopelliti, M. Wodrich, 2017, Proceedings of the National Academy of Sciences.

Axially Chiral Dibenzazepinones by a Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation.

C. G. Newton, M. Wodrich, N. Cramer, 2018, Angewandte Chemie.

Axially Chiral Dibenzazepinones by a Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation.

Matthew D. Wodrich, C. G. Newton, M. Wodrich, 2018, Angewandte Chemie.

Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.

Matthew D. Wodrich, C. Corminboeuf, A. Sienkiewicz, 2016, Journal of the American Chemical Society.

Probing Substrate Scope with Molecular Volcanoes.

Matthew D. Wodrich, C. Corminboeuf, Boodsarin Sawatlon, 2020, Organic letters.

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

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2021, Chemical science.

Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry

Michele Ceriotti, Riccardo Petraglia, Adrien Nicolaï, 2015, J. Comput. Chem..

Toward functional type III [Fe]-hydrogenase biomimics for H2 activation: insights from computation.

Clémence Corminboeuf, Matthew D. Wodrich, C. Corminboeuf, 2015, Chemistry.

Electronic Elements Governing the Binding of Small Molecules to a [Fe]-Hydrogenase Mimic

Matthew D. Wodrich, M. Wodrich, Xile Hu, 2013 .

On the advantages of hydrocarbon radical stabilization energies based on R-H bond dissociation energies.

P. Schleyer, M. Wodrich, W. C. McKee, 2011, The Journal of organic chemistry.

Fast and Highly Chemoselective Alkynylation of Thiols with Hypervalent Iodine Reagents Enabled through a Low Energy Barrier Concerted Mechanism

Matthew D. Wodrich, M. Wodrich, Durga Prasad Hari, 2014, Journal of the American Chemical Society.

Accurate thermochemistry of hydrocarbon radicals via an extended generalized bond separation reaction scheme.

Matthew D. Wodrich, Steven E. Wheeler, C. Corminboeuf, 2012, The journal of physical chemistry. A.

What governs nitrogen configuration in substituted aminophosphines

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2009 .

One-Step Multigram-Scale Biomimetic Synthesis of Psiguadial B.

C. G. Newton, M. Wodrich, N. Cramer, 2017, Angewandte Chemie.

How accurate are DFT treatments of organic energies?

Clémence Corminboeuf, Matthew D. Wodrich, P. Schreiner, 2007, Organic letters.

Activity-Based Screening of Homogeneous Catalysts through the Rapid Assessment of Theoretically Derived Turnover Frequencies

Matthew D. Wodrich, C. Corminboeuf, Boodsarin Sawatlon, 2019, ACS Catalysis.

Overcoming systematic DFT errors for hydrocarbon reaction energies

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2010 .

Ping-pong protons: how hydrogen-bonding networks facilitate heterolytic bond cleavage in peptide radical cations.

C. Corminboeuf, M. Wodrich, Y. Tsybin, 2014, The journal of physical chemistry. B.

Unraveling Metal/Pincer Ligand Effects in the Catalytic Hydrogenation of Carbon Dioxide to Formate

Matthew D. Wodrich, C. Corminboeuf, Boodsarin Sawatlon, 2018, Organometallics.

The Genesis of Molecular Volcano Plots.

Matthew D. Wodrich, C. Corminboeuf, Boodsarin Sawatlon, 2021, Accounts of chemical research.

Alkynylation of Thiols with Ethynylbenziodoxolone (EBX) Reagents: α- or β- π-Addition?

Matthew D. Wodrich, M. Wodrich, J. Waser, 2015, Organic letters.

The concept of protobranching and its many paradigm shifting implications for energy evaluations.

Matthew D. Wodrich, K. Houk, P. Schleyer, 2007, Chemistry.

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

P. Schleyer, C. Corminboeuf, M. Wodrich, 2008, Journal of Physical Chemistry A.

Principles of electron capture and transfer dissociation mass spectrometry applied to peptide and protein structure analysis.

Matthew D. Wodrich, Yury O Tsybin, Luca Fornelli, 2013, Chemical Society reviews.

Methoxycyclization of 1,5‐Enynes by Coinage Metal Catalysts: Is Gold Always Superior?

Matthew D. Wodrich, C. Corminboeuf, M. Wodrich, 2021, Helvetica Chimica Acta.

Data-Driven Advancement of Homogeneous Nickel Catalyst Activity for Aryl Ether Cleavage

Matthew D. Wodrich, C. Corminboeuf, Boodsarin Sawatlon, 2020 .

How strained are carbomeric-cycloalkanes?

Jérôme F Gonthier, C. Corminboeuf, M. Wodrich, 2010, The journal of physical chemistry. A.

New additivity schemes for hydrocarbon energies.

M. Wodrich, P. von Ragué Schleyer, 2006, Organic letters.

X‐Ray and NMR Structural Data of Ethynylbenziodoxolones (EBXs) Reagents and Their Analogues

R. Scopelliti, M. Wodrich, Durga Prasad Hari, 2023, Helvetica Chimica Acta.

Quantification of "fuzzy" chemical concepts: a computational perspective.

Matthew D. Wodrich, Jérôme F Gonthier, C. Corminboeuf, 2012, Chemical Society reviews.

Principles of Electron Capture and Transfer Dissociation Mass Spectrometry Applied to Peptide and Protein Structure Analysis

Matthew D. Wodrich, M. Wodrich, L. Fornelli, 2013 .