Literature DB >> 12404438

From CO(2) to Methanol by Hybrid QM/MM Embedding This work was supported by EU Esprit IV project 25047. S.A.F. is grateful to ICI and Synetix for funding. K. Waugh, L. Whitmore, S. Cristol, and P. Sushko are thanked for their helpful insights. QM/MM=quantum mechanics/molecular mechanics.

Samuel A. French1, Alexey A. Sokol, Stefan T. Bromley, C. Richard A. Catlow, Stephen C. Rogers, Frank King, Paul Sherwood.   

Abstract

Entities:  

Year:  2001        PMID： 12404438     DOI： 10.1002/1521-3773(20011203)40:23<4437::aid-anie4437>3.0.co;2-l

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


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  5 in total

1.  The reaction of formic acid with RaneyTM copper.

Authors:  Samantha K Callear; Ian P Silverwood; Arunabhiram Chutia; C Richard A Catlow; Stewart F Parker
Journal:  Proc Math Phys Eng Sci       Date:  2016-04       Impact factor: 2.704

2.  CO2 adsorption on polar surfaces of ZnO.

Authors:  Sergio A S Farias; E Longo; R Gargano; João B L Martins
Journal:  J Mol Model       Date:  2012-10-24       Impact factor: 1.810

Review 3.  Quantitative molecular simulations.

Authors:  Kai Töpfer; Meenu Upadhyay; Markus Meuwly
Journal:  Phys Chem Chem Phys       Date:  2022-06-01       Impact factor: 3.945

4.  A feasible strategy to balance the crystallinity and specific surface area of metal oxide nanocrystals.

Authors:  Q P Zhang; X N Xu; Y T Liu; M Xu; S H Deng; Y Chen; H Yuan; F Yu; Y Huang; K Zhao; S Xu; G Xiong
Journal:  Sci Rep       Date:  2017-04-24       Impact factor: 4.379

5.  A highly selective and stable ZnO-ZrO2 solid solution catalyst for CO2 hydrogenation to methanol.

Authors:  Jijie Wang; Guanna Li; Zelong Li; Chizhou Tang; Zhaochi Feng; Hongyu An; Hailong Liu; Taifeng Liu; Can Li
Journal:  Sci Adv       Date:  2017-10-06       Impact factor: 14.136
  5 in total

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