作者: Luisa T. M. Profeta , Robert L. Sams , Timothy J. Johnson , Stephen D. Williams
DOI: 10.1021/JP204532X
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摘要: … While not shown in Table 2, their calculated frequencies are in good … –2 atm –1 , their experimental values are systematically a factor of ∼2.5 smaller than the values we report in Table 2…