THEORETICAL STUDIES OF ATMOSPHERIC MOLECULES - SCF AND CORRELATED POTENTIAL SURFACE RESULTS FOR X2B1 AND B2B2 STATES OF H2O+

被引：36

作者：

FORTUNE, PJ ^{[1
]}

ROSENBERG, BJ ^{[1
]}

WAHL, AC ^{[1
]}

机构：

[1] ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 65卷 / 06期

关键词：

D O I：

10.1063/1.433376

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：2201 / 2205

页数：5

共 18 条

[11] SPECTRUM OF H2O+ [J].

LEW, H ;

HEIBER, I .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1246-1248

[12] EXCITED-STATES OF GASEOUS IONS .5. PREDISSOCIATION OF H2O+ ION [J].

LORQUET, AJ ;

LORQUET, JC .

CHEMICAL PHYSICS, 1974, 4 (03) :353-367

[13]

Meyer W., 1971, INT J QUANTUM CHEM, V5, P341, DOI [10.1002/qua.560050839, DOI 10.1002/QUA.560050839]

[14] PHOTOELECTRON SPECTRA AND VALENCE SHELL ORBITAL STRUCTURES OF GROUPS-V AND VI HYDRIDES [J].

POTTS, AW ;

PRICE, WC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1972, 326 (1565) :181-&

[15] LIMITED BASIS MOLECULAR-ORBITAL CALCULATION ON H2O AND H2O+ [J].

SMITH, JA ;

JORGENSEN, P ;

OHRN, Y .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1285-1288

[16] VARIATIONAL CALCULATION OF VIBRATION-ROTATION ENERGY-LEVELS FOR TRIATOMIC-MOLECULES [J].

WHITEHEAD, RJ ;

HANDY, NC .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 55 (1-3) :356-373

[17] VARIATIONAL CALCULATION OF LOW-LYING AND EXCITED VIBRATIONAL LEVELS OF WATER MOLECULE [J].

WHITEHEAD, RJ ;

HANDY, NC .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 59 (03) :459-469

[18]

WILSON EB, 1955, MOLECULAR VIBRATIONS, pCH4

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