The Challenge of Reproducing with Calculations Raw Experimental Kinetic Data for an Organic Reaction-Reference-Cited by-同舟云学术

The Challenge of Reproducing with Calculations Raw Experimental Kinetic Data for an Organic Reaction

Published:2020-02-26 Issue:8 Volume:22 Page:2873-2877
ISSN:1523-7060
Container-title:Organic Letters
language:en
Short-container-title:Org. Lett.

Author:

Pérez-Soto Raúl¹^ORCID,Besora Maria²^ORCID,Maseras Feliu¹^ORCID

Affiliation:

1. Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology, Avgda. Països Catalans, 16, 43007 Tarragona, Catalonia, Spain

2. Departament de Quı́mica Fı́sica i Inorgànica, Universitat Rovira i Virgili, 43007, Tarragona, Catalonia, Spain

Funder

Ministerio de Econom?a, Industria y Competitividad, Gobierno de Espa?a

Ministerio de Ciencia e Innovaci?n

Generalitat de Catalunya

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.orglett.0c00367

Reference32 articles.

1. Gold-Catalyzed Intermolecular Ynamide Amination-Initiated Aza-Nazarov Cyclization: Access to Functionalized 2-Aminopyrroles

2. Metal-Free-Visible Light C–H Alkylation of Heteroaromatics via Hypervalent Iodine-Promoted Decarboxylation

3. Diastereodivergent Enantioselective [8 + 2] Annulation of Tropones and Enals Catalyzed by N-Heterocyclic Carbenes

4. Scope and Challenge of Computational Methods for Studying Mechanism and Reactivity in Homogeneous Catalysis

5. Progress in Accurate Chemical Kinetic Modeling, Simulations, and Parameter Estimation for Heterogeneous Catalysis

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