Operando Modeling of Multicomponent Reactive Solutions in Homogeneous Catalysis: from Non‐standard Free Energies to Reaction Network Control-Reference-Cited by-同舟云学术

Operando Modeling of Multicomponent Reactive Solutions in Homogeneous Catalysis: from Non‐standard Free Energies to Reaction Network Control

Published:2019-12-11 Issue:3 Volume:12 Page:795-802
ISSN:1867-3880
Container-title:ChemCatChem
language:en
Short-container-title:ChemCatChem

Author:

Kuliaev Pavel O.¹,Pidko Evgeny A.¹²^ORCID

Affiliation:

1. TheoMAT GroupITMO University Lomonosova 9 St. Petersburg 191002 Russia

2. Inorganic Systems Engineering Group Department of Chemical EngineeringDelft University of Technology Van der Maasweg 9 Delft 2629 HZ The Netherlands

Publisher

Wiley

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Catalysis

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cctc.201901911

Reference49 articles.

1. Challenges in modelling homogeneous catalysis: new answers from ab initio molecular dynamics to the controversy over the Wacker process

2. Discovering chemistry with an ab initio nanoreactor

3. Chemical Kinetics and Mechanisms of Complex Systems: A Perspective on Recent Theoretical Advances

4. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

5. The challenge of catalyst prediction

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