2.1k citations
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2 papers
physics.chem-ph2021★ 14 cited
IR photofragmentation of the Phenyl Cation: Spectroscopy and Fragmentation Pathways
S. D. Wiersma, A. Candian, J. M. Bakker +5
We present the gas-phase infrared spectra of the phenyl cation, phenylium, in its perprotio CH and perdeutero CD forms, in the 260-1925 cm (5.2-38 m)…
physics.chem-ph2016★ 2.1k cited
ANI-1: An extensible neural network potential with DFT accuracy at force field computational cost
Justin S. Smith, Olexandr Isayev, Adrian E. Roitberg
Deep learning is revolutionizing many areas of science and technology, especially image, text and speech recognition. In this paper, we demonstrate how a deep neural network (NN) t…