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The influence of chain dynamics on the far-infrared spectrum of liquid methanol
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10.1063/1.2000238
/content/aip/journal/jcp/123/13/10.1063/1.2000238
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/13/10.1063/1.2000238
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The center-of-mass velocity autocorrelation function (inset) and the corresponding power spectrum of methanol at .

Image of FIG. 2.
FIG. 2.

The velocity autocorrelation spectrum of methanol divided into components relating to the molecular principal axes. Solid line: axis; dashed line: axis; and dotted line: axis.

Image of FIG. 3.
FIG. 3.

Hydrogen-bonding correlation function (inset) and spectrum of methanol at calculated using Eq. (2). The correlations in the spectrum are separated into parts that describe hydrogen-bonding associations defined by a hydrogen-bonding reference frame shown in the top portion of the figure and described in greater detail in Sec. III B. Dotted line: axis; solid line: axis; and dashed line: axis.

Image of FIG. 4.
FIG. 4.

region of the computed IR-absorption spectrum of methanol at using Eq. (1).

Image of FIG. 5.
FIG. 5.

Computed IR-absorption spectrum of methanol in the intermolecular region. In the inset the spectral region is also shown.

Image of FIG. 6.
FIG. 6.

The region of the computed IR-absorption-spectrum separated into contributions relating to the molecular principal axes. The dashed-dot-dotted line indicates the axis, dashed line the axis, and the solid line the axis.

Image of FIG. 7.
FIG. 7.

(a) The region of the computed IR-absorption spectrum of methanol at (solid line with open circles). (b) Experimental IR-absorption spectrum of methanol at (solid line with filled circles) at a resolution.

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/content/aip/journal/jcp/123/13/10.1063/1.2000238
2005-10-03
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The influence of chain dynamics on the far-infrared spectrum of liquid methanol
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/13/10.1063/1.2000238
10.1063/1.2000238
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