Method development articles within Nature Communications

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  • Article
    | Open Access

    Despite recent advances in simulations of tip-enhanced Raman spectroscopy (TERS) under highly confined fields, a simply physical mechanism has remained elusive. Here, the authors show that single molecule TERS images can be explained by local sub-molecular density changes induced by the confined near-field during the Raman process.

    • Xing Chen
    • , Pengchong Liu
    •  & Lasse Jensen

  • Article
    | Open Access

    The sergeants-and-soldiers effect, in which a few chiral units induce chirality in a large number of achiral molecules, is difficult to quantify at the molecular level. Here, the authors devise an elegant strategy—combining theory and a system of pure organic polyhedra with chiral and achiral vertices—to understand the mechanism of chiral amplification in discrete molecular assemblies.

    • Yu Wang
    • , Hongxun Fang
    •  & Xiaoyu Cao

  • Article
    | Open Access

    Identifying pathways and transition states is critical to understanding chemical and biological reactions. Here, the authors introduce a capable computational approach using conformational space annealing to find multiple reaction pathways via global optimization of the Onsager-Machlup action.

    • Juyong Lee
    • , In-Ho Lee
    •  & Bernard R. Brooks

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