期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 2, 期 13, 页码 1506-1509出版社
AMER CHEMICAL SOC
DOI: 10.1021/jz200474g
关键词
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Azobenzenes are candidates for efficient, photochemically triggered switching in devices of molecular size. The cis-azobenzene isomer is inherently chiral because of its helicity. Applying OM2/MRCI surface-hopping molecular dynamics simulations, we analyze chiral photoisomerization pathways in cis-azobenzene and correlate oscillatory features in the population decay to modes that trigger motion toward and from the S(1)/S(0) crossing region.
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