1ST PRINCIPLES CALCULATION OF ROTATIONAL AND RO-VIBRATIONAL LINE STRENGTHS - SPECTRA FOR H2D+ AND D2H+

被引：49

作者：

MILLER, S ^{[1
]}

TENNYSON, J ^{[1
]}

SUTCLIFFE, BT ^{[1
]}

机构：

[1] UNIV YORK, DEPT CHEM, YORK YO1 5DD, N YORKSHIRE, ENGLAND

来源：

MOLECULAR PHYSICS | 1989年 / 66卷 / 02期

关键词：

D O I：

10.1080/00268978900100211

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

页码：429 / 456

页数：28

共 45 条

[1]

AMANO T, 1984, J CHEM PHYS, V81, P2969

[2]

BOGEY M, 1984, ASTRON ASTROPHYS, V138, pL11

[3]

Brink D.M., 1979, ANGULAR MOMENTUM

[4] ABINITIO DIPOLE SURFACES, VIBRATIONALLY AVERAGED DIPOLE-MOMENTS, AND INFRARED TRANSITION INTENSITIES FOR KCN AND LICN [J].

BROCKS, G ;

TENNYSON, J ;

VANDERAVOIRD, A .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3223-3233

[5] H-3+ - AB-INITIO CALCULATION OF VIBRATION SPECTRUM [J].

CARNEY, GD ;

PORTER, RN .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (09) :3547-3565

[6] ABINITIO PREDICTION OF VIBRATION-SPECTRA OF DEUTERATED SPECIES OF H-3(+) [J].

CARNEY, GD ;

PORTER, RN .

CHEMICAL PHYSICS LETTERS, 1977, 50 (02) :327-329

[7] H+/3 - GEOMETRY DEPENDENCE OF ELECTRONIC PROPERTIES [J].

CARNEY, GD ;

PORTER, RN .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4251-4264

[8] ABINITIO PREDICTION OF THE ROTATION-VIBRATION SPECTRUM OF H-3+ AND D-3+ [J].

CARNEY, GD ;

PORTER, RN .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :537-541

[9] A THEORETICAL DETERMINATION OF THE ROVIBRATIONAL ENERGY-LEVELS OF THE WATER MOLECULE [J].

CARTER, S ;

HANDY, NC .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (08) :4294-4301

[10]

EVENSON K, 1988, COMMUNICATION

← 1 2 3 4 5 →