PROTON AFFINITY OF CNO

被引：7

作者：

MACLAGAN, RGAR

机构：

[1] Department of Chemistry, University of Canterbury, Christchurch

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 18期

关键词：

D O I：

10.1021/j100120a010

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 proton affinities at 0 K of CNO and NCO have been calculated using the G2 procedure. In order to determine the reliability of this procedure with this type of molecule, the proton affinities of CO, CN, and NO have also been calculated. The lowest energy isomer for HNCO+ was found to be the linear structure.

引用

页码：4614 / 4615

页数：2

共 12 条

[1]

BERKOWITZ J, COMMUNICATION

[2]

BOGAN DJ, 1971, J PHYS CHEM-US, V75, P1532

[3] GAUSSIAN-2 THEORY FOR MOLECULAR-ENERGIES OF 1ST-ROW AND 2ND-ROW COMPOUNDS [J].