ABINITIO QUADRATIC, CUBIC AND QUARTIC FORCE-CONSTANTS FOR THE CALCULATION OF SPECTROSCOPIC CONSTANTS

被引：48

作者：

GAW, JF

HANDY, NC

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1985年 / 121卷 / 4-5期

关键词：

D O I：

10.1016/0009-2614(85)87186-4

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：321 / 329

页数：9

共 40 条

[1]

Amat G., 1971, ROTATION VIBRATION P

[2]

BARLETT RJ, 1979, J CHEM PHYS, V71, P281

[3] VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA [J].

BENEDICT, WS ;

PLYLER, EK .

CANADIAN JOURNAL OF PHYSICS, 1957, 35 (10) :1235-1241

[4] VIBRATION-ROTATION BANDS OF AMMONIA .4. THE STRETCHING FUNDAMENTALS AND ASSOCIATED BANDS NEAR 3-MU [J].

BENEDICT, WS ;

PLYLER, EK ;

TIDWELL, ED .

JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (01) :32-44

[5] EQUILIBRIUM STRUCTURE AND FORCE-FIELD OF NITROSYL CHLORIDE [J].

CAZZOLI, G ;

ESPOSTI, CD ;

PALMIERI, P ;

SIMEONE, S .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 97 (01) :165-185

[6] The water vapor molecule [J].

Darling, BT ;

Dennison, DM .

PHYSICAL REVIEW, 1940, 57 (02) :128-139

[7] BASIS SET LIMIT GEOMETRIES FOR AMMONIA AT THE SCF AND MP2 LEVELS OF THEORY [J].

DEFREES, DJ ;

MCLEAN, AD .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (07) :3353-3355

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[9] ANALYTIC 3RD DERIVATIVES FOR SELF-CONSISTENT-FIELD WAVE-FUNCTIONS [J].

GAW, JF ;

YAMAGUCHI, Y ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (12) :6395-6396

[10]

GAW JF, UNPUB

← 1 2 3 4 →