Literature DB >> 15867917

Ab initio modelling: genesis of crystal structures.

Axel van de Walle.   

Abstract

Year:  2005        PMID: 15867917     DOI: 10.1038/nmat1378

Source DB:  PubMed          Journal:  Nat Mater        ISSN: 1476-1122            Impact factor:   43.841


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  2 in total

1.  Predicting the outcomes of organic reactions via machine learning: are current descriptors sufficient?

Authors:  G Skoraczyński; P Dittwald; B Miasojedow; S Szymkuć; E P Gajewska; B A Grzybowski; A Gambin
Journal:  Sci Rep       Date:  2017-06-15       Impact factor: 4.379

2.  Polymorph exploration of bismuth stannate using first-principles phonon mode mapping.

Authors:  Warda Rahim; Jonathan M Skelton; Christopher N Savory; Ivana R Evans; John S O Evans; Aron Walsh; David O Scanlon
Journal:  Chem Sci       Date:  2020-07-06       Impact factor: 9.825

  2 in total

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