Literature DB >> 22162297

CatApp: a web application for surface chemistry and heterogeneous catalysis.

Jens S Hummelshøj1, Frank Abild-Pedersen, Felix Studt, Thomas Bligaard, Jens K Nørskov.   

Abstract

Year:  2011        PMID： 22162297     DOI： 10.1002/anie.201107947

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  8 in total

1.  Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol.

Authors:  Felix Studt; Irek Sharafutdinov; Frank Abild-Pedersen; Christian F Elkjær; Jens S Hummelshøj; Søren Dahl; Ib Chorkendorff; Jens K Nørskov
Journal:  Nat Chem       Date:  2014-03-02       Impact factor: 24.427

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

Authors:  Federico Calle-Vallejo; David Loffreda; Marc T M Koper; Philippe Sautet
Journal:  Nat Chem       Date:  2015-04-06       Impact factor: 24.427

3.  Analysis of reaction schemes using maximum rates of constituent steps.

Authors:  Ali Hussain Motagamwala; James A Dumesic
Journal:  Proc Natl Acad Sci U S A       Date:  2016-05-09       Impact factor: 11.205

4.  Catalysis-Hub.org, an open electronic structure database for surface reactions.

Authors:  Kirsten T Winther; Max J Hoffmann; Jacob R Boes; Osman Mamun; Michal Bajdich; Thomas Bligaard
Journal:  Sci Data       Date:  2019-05-28       Impact factor: 6.444

Review 5.  Data-Driven Materials Science: Status, Challenges, and Perspectives.

Authors:  Lauri Himanen; Amber Geurts; Adam Stuart Foster; Patrick Rinke
Journal:  Adv Sci (Weinh)       Date:  2019-09-01       Impact factor: 16.806

6.  Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis.

Authors:  Miguel Steiner; Markus Reiher
Journal:  Top Catal       Date:  2022-01-13       Impact factor: 2.910

Review 7.  Applications of Machine Learning in Alloy Catalysts: Rational Selection and Future Development of Descriptors.

Authors:  Ze Yang; Wang Gao
Journal:  Adv Sci (Weinh)       Date:  2022-03-01       Impact factor: 17.521

8.  From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language.

Authors:  Wibe A de Jong; Andrew M Walker; Marcus D Hanwell
Journal:  J Cheminform       Date:  2013-05-24       Impact factor: 5.514
  8 in total

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