HEAT OF FORMATION OF CH2OH

被引：28

作者：

BAUSCHLICHER, CW

PARTRIDGE, H

机构：

[1] NASA, Moffett Field, CA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 07期

关键词：

D O I：

10.1021/j100058a017

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The heat of formation of CH2OH at 298 K is determined to be -15.2 +/- 3.5 kJ/mol using high levels of theory. This is in good agreement with some recent experimental determinations. The assignment of the error bars is discussed in detail and compared with that assigned in previous theoretical calculations. The largest uncertainty arises from the calculation of the zero-point energy.

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页码：1826 / 1829

页数：4

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