Literature DB >> 27323885

Faster, Catalyst! React! React! Exploiting Computational Chemistry for Catalyst Development and Design.

Dean J Tantillo1.   

Abstract

Year:  2016        PMID： 27323885     DOI： 10.1021/acs.accounts.6b00249

Source DB:  PubMed          Journal:  Acc Chem Res        ISSN： 0001-4842            Impact factor:   22.384


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  4 in total

1.  Origin of the Rate Acceleration in the C-C Reductive Elimination from Pt(IV)-complex in a [Ga4 L6 ]12- Supramolecular Metallocage.

Authors:  Gantulga Norjmaa; Jean-Didier Maréchal; Gregori Ujaque
Journal:  Chemistry       Date:  2021-10-13       Impact factor: 5.020

2.  Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective Bromination.

Authors:  Xin Cindy Yan; Anthony J Metrano; Michael J Robertson; Nadia C Abascal; Julian Tirado-Rives; Scott J Miller; William L Jorgensen
Journal:  ACS Catal       Date:  2018-09-13       Impact factor: 13.084

Review 3.  Quantitative Structure-Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future.

Authors:  Andrew F Zahrt; Soumitra V Athavale; Scott E Denmark
Journal:  Chem Rev       Date:  2019-12-30       Impact factor: 60.622

4.  Quantum-mechanical transition-state model combined with machine learning provides catalyst design features for selective Cr olefin oligomerization.

Authors:  Steven M Maley; Doo-Hyun Kwon; Nick Rollins; Johnathan C Stanley; Orson L Sydora; Steven M Bischof; Daniel H Ess
Journal:  Chem Sci       Date:  2020-08-21       Impact factor: 9.825
  4 in total

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