ABINITIO CALCULATION OF THE EQUILIBRIUM GEOMETRY OF NH4+, AND NH3 AND THE SYMMETRICAL STRETCHING POTENTIAL OF NH4+

被引:18
作者
BOTSCHWINA, P
机构
关键词
D O I
10.1063/1.453281
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
引用
收藏
页码:1453 / 1455
页数:3
相关论文
共 24 条
[21]   DIODE-LASER ABSORPTION-SPECTROSCOPY OF D3O+ - DETERMINATION OF THE EQUILIBRIUM STRUCTURE AND POTENTIAL FUNCTION OF THE OXONIUM ION [J].
SEARS, TJ ;
BUNKER, PR ;
DAVIES, PB ;
JOHNSON, SA ;
SPIRKO, V .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) :2676-2685
[22]   VIBRATIONAL ANHARMONICITY AND THE INVERSION POTENTIAL FUNCTION OF NH3 [J].
SPIRKO, V .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 101 (01) :30-47
[23]  
VANDUIJNEVELDT FB, 1971, IBM RES J, P945
[24]   A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE AMMONIUM ION NH-4(+) AND OTHER SIMPLE MOLECULES [J].
YAMAGUCHI, Y ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (05) :2310-2318