VIBRATIONAL PARTITION-FUNCTIONS FOR H2O DERIVED FROM PERTURBATION-THEORY ENERGY-LEVELS

被引：28

作者：

ISAACSON, AD

ZHANG, XG

机构：

来源：

THEORETICA CHIMICA ACTA | 1988年 / 74卷 / 06期

关键词：

D O I：

10.1007/BF00528019

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：493 / 511

页数：19

共 29 条

[1]

[Anonymous], 1978, ADV CHEM PHYS, DOI 10.1002/9780470142561.ch6

[2]

BARTLETT RJ, 1979, J CHEM PHYS, V71, P281, DOI 10.1063/1.438069

[3]

Califano S., 1976, VIBRATIONAL STATES

[4] IMPROVED POTENTIAL FUNCTIONS FOR BENT AB2 MOLECULES - WATER AND OZONE [J].

CARNEY, GD ;

CURTISS, LA ;

LANGHOFF, SR .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (03) :371-381

[5]

CARNEY GD, 1975, INT J QUANTUM CHEM, V9, P317

[6] INVESTIGATIONS OF SELF-CONSISTENT FIELD, SCF CI AND VIRTUAL STATE CONFIGURATION-INTERACTION VIBRATIONAL ENERGIES FOR A MODEL 3-MODE SYSTEM [J].

CHRISTOFFEL, KM ;

BOWMAN, JM .

CHEMICAL PHYSICS LETTERS, 1982, 85 (02) :220-224

[7] IMPORTANCE OF QUARTIC ANHARMONICITY FOR BENDING PARTITION-FUNCTIONS IN TRANSITION-STATE THEORY [J].

GARRETT, BC ;

TRUHLAR, DG .

JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (14) :1915-1924

[8] GENERALIZED TRANSITION-STATE THEORY - BOND ENERGY BOND ORDER METHOD FOR CANONICAL VARIATIONAL CALCULATIONS WITH APPLICATION TO HYDROGEN-ATOM TRANSFER-REACTIONS [J].

GARRETT, BC ;

TRUHLAR, DG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) :4534-4548

[9] POLYATOMIC, ANHARMONIC, VIBRATIONAL ROTATIONAL ANALYSIS - APPLICATION TO ACCURATE ABINITIO RESULTS FOR FORMALDEHYDE [J].

HARDING, LB ;

ERMLER, WC .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (01) :13-27

[10] ANHARMONIC FORCE CONSTANT CALCULATIONS [J].

HOY, AR ;

MILLS, IM ;

STREY, G .

MOLECULAR PHYSICS, 1972, 24 (06) :1265-1290

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