New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited-Reference-Cited by-同舟云学术

New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited

Published:2022-02-04 Issue:3 Volume:2 Page:225-236
ISSN:2694-2445
Container-title:ACS Physical Chemistry Au
language:en
Short-container-title:ACS Phys. Chem Au

Author:

Garay-Ruiz Diego¹²^ORCID,Álvarez-Moreno Moises¹,Bo Carles¹²^ORCID,Martínez-Núñez Emilio³^ORCID

Affiliation:

1. Institute of Chemical Research of Catalonia (ICIQ), Barcelona Institute of Science & Technology (BIST), Avinguda Països Catalans, 16, 43007 Tarragona, Spain

2. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili (URV), Marcel·lí Domingo s/n, 43007 Tarragona, Spain

3. Departmento de Química Física, Facultade de Química, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain

Funder

Ministerio de Ciencia e Innovación

Consellería de Cultura, Educación e Ordenación Universitaria, Xunta de Galicia

Agència de Gestió d'Ajuts Universitaris i de Recerca

Publisher

American Chemical Society (ACS)

Subject

General Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.1c00051

Reference117 articles.

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4. Transition state structures and reaction profiles from constrained optimization procedure. Implementation in the framework of density functional theory

5. Gradient extremal bifurcation and turning points: An application to the H2CO potential energy surface

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