THE HEAT OF FORMATION OF FORMALDIMINE

被引：43

作者：

SMITH, BJ

POPLE, JA

CURTISS, LA

RADOM, L

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

[2] ARGONNE NATL LAB,DIV CHEM TECHNOL,MAT SCI PROGRAM,ARGONNE,IL 60439

来源：

AUSTRALIAN JOURNAL OF CHEMISTRY | 1992年 / 45卷 / 01期

关键词：

D O I：

10.1071/CH9920285

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ab initio molecular orbital theory at the G2 level has been used to predict new values for the heat of formation of formaldimine (CH2 = NH): DELTA-H(f)-degrees-0 = 94 +/- 10 kJ mol-1 and DELTA-H(f)-degrees-298 = 86 +/- 10 kJ mol-1.

引用

页码：285 / 288

页数：4

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