A CALCULATION OF THE ROVIBRATIONAL SPECTRA OF THE H-3+,H2D+ AND D2H+ MOLECULES

被引:36
作者
TENNYSON, J [1 ]
SUTCLIFFE, BT [1 ]
机构
[1] UNIV YORK,DEPT CHEM,YORK YO1 5DD,N YORKSHIRE,ENGLAND
关键词
D O I
10.1080/00268978500102981
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:1175 / 1183
页数:9
相关论文
共 39 条
[1]   OBSERVATION OF THE NU-1 FUNDAMENTAL-BAND OF H2D+ [J].
AMANO, T ;
WATSON, JKG .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (07) :2869-2871
[2]   IR AND MICROWAVE HIGH-RESOLUTION SPECTRUM OF V3-BAND OF OZONE [J].
BARBE, A ;
SECROUN, C ;
JOUVE, P ;
MONNANTEUIL, N ;
DEPANNEMAECKER, JC ;
DUTERAGE, B ;
BELLET, J ;
PINSON, P .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 64 (03) :343-364
[3]  
BOGEY M, 1984, ASTRON ASTROPHYS, V137, pL15
[4]   THE VIBRATION SPECTRUM OF H-3+ - A PNO-CI ABINITIO POTENTIAL-ENERGY SURFACE AND ITS ANALYTICAL REPRESENTATION [J].
BURTON, PG ;
VONNAGYFELSOBUKI, E ;
DOHERTY, G ;
HAMILTON, M .
MOLECULAR PHYSICS, 1985, 55 (03) :527-548
[5]   THE VIBRATION SPECTRUM OF H-3+ AND D-3+ - 3-DIMENSIONAL BASIS SELECTION AND CONVERGENCE OF THE LOW-LYING VIBRATIONAL CI WAVEFUNCTIONS [J].
BURTON, PG ;
VONNAGYFELSOBUKI, E ;
DOHERTY, G .
CHEMICAL PHYSICS LETTERS, 1984, 104 (04) :323-330
[6]   REFINEMENTS IN THE VIBRATION FREQUENCIES OF H3+ AND D3+ [J].
CARNEY, GD .
MOLECULAR PHYSICS, 1980, 39 (04) :923-933
[7]   H-3+ - AB-INITIO CALCULATION OF VIBRATION SPECTRUM [J].
CARNEY, GD ;
PORTER, RN .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (09) :3547-3565
[8]   ABINITIO PREDICTION OF VIBRATION-SPECTRA OF DEUTERATED SPECIES OF H-3(+) [J].
CARNEY, GD ;
PORTER, RN .
CHEMICAL PHYSICS LETTERS, 1977, 50 (02) :327-329
[9]   ROTATION ENERGIES FOR DEUTERATED H(3)+ OSCILLATORS IN ZERO-POINT STATES OF VIBRATION [J].
CARNEY, GD .
CHEMICAL PHYSICS, 1980, 54 (01) :103-107
[10]   H+/3 - GEOMETRY DEPENDENCE OF ELECTRONIC PROPERTIES [J].
CARNEY, GD ;
PORTER, RN .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4251-4264