Accurate and Ultrafast Simulation of Molecular Recognition and Assembly on Metal Surfaces in Four Dimensions.
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DOI: 10.1021/acsnano.2c10953
Abstract: Understanding molecular interactions with metal surfaces in high reliability is critical for the development of catalysts, sensors, and therapeutics. Obtaining accurate experimental data for a wide range of surfaces remains a critical bottleneck and quantum-mechanical… read more here.
Keywords: accurate ultrafast; simulation molecular; metal surfaces; ultrafast simulation ... See more keywords