(Q41003783)

25 September 2017

Linear scaling relationships and volcano plots in homogeneous catalysis - revisiting the Suzuki reaction (English)

1 reference

25 September 2017

Michael Busch

1

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Matthew D. Wodrich

object named as

Matthew D Wodrich

series ordinal

2

0 references

Clémence Corminboeuf

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3

object named as

Clémence Corminboeuf

1 reference

25 September 2017

2 September 2015

1 reference

25 September 2017

1 reference

25 September 2017

6

1 reference

25 September 2017

12

1 reference

25 September 2017

6754-6761

1 reference

Stable gold(III) catalysts by oxidative addition of a carbon-carbon bond

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Experiment and computation: a combined approach to study the reactivity of palladium complexes in oxidation states 0 to IV.

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Biphasic water splitting by osmocene

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Towards the computational design of solid catalysts.

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Kinetic data for the transmetalation/reductive elimination in palladium-catalyzed Suzuki-Miyaura reactions: unexpected triple role of hydroxide ions used as base

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Generalized Gradient Approximation Made Simple

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

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

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Rationale for the sluggish oxidative addition of aryl halides to Au(I).

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Distinguishing between pathways for transmetalation in Suzuki-Miyaura reactions

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

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

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Cross-coupling reactions of organoboranes: an easy way to construct C-C bonds (Nobel Lecture).

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5508671

The Effect of Structure upon the Reactions of Organic Compounds. Benzene Derivatives

19 August 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

A new stereospecific cross-coupling by the palladium-catalyzed reaction of 1-alkenylboranes with 1-alkenyl or 1-alkynyl halides

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

Palladium-Catalyzed Cross-Coupling Reactions of Organoboron Compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

Ionic recognition by 7-nitro-1,3,5-triaza adamantane: first thermodynamic study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

Universality in Heterogeneous Catalysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

Density Functionals with Broad Applicability in Chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

Mechanism of Palladium-Catalyzed Suzuki-Miyaura Reactions: Multiple and Antagonistic Roles of Anionic “Bases” and Their Countercations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

The COSMO and COSMO-RS solvation models

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5SC02910D

Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces

21 January 2018

1 reference

12 December 2020

A generalized-gradient approximation exchange hole model for dispersion coefficients

1 reference

12 December 2020

Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction

1 reference

12 December 2020

Comprehensive Benchmarking of a Density-Dependent Dispersion Correction

1 reference

12 December 2020

A density dependent dispersion correction

1 reference

12 December 2020

Introducing structural sensitivity into adsorption-energy scaling relations by means of coordination numbers

1 reference

12 December 2020

A System-Dependent Density-Based Dispersion Correction

1 reference

12 December 2020

Identifiers

DOI

10.1039/C5SC02910D

1 reference

25 September 2017

1 reference

25 September 2017

1 reference

PMCID

5508671