GEOMETRY OPTIMIZATION IN ABINITIO SCF CALCULATIONS - THE HYDROGEN CLUSTERS H-7(+),H-9(+),H-11(+),H-13(+)

被引：36

作者：

HUBER, H

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 70卷 / 02期

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D O I：

10.1016/0009-2614(80)85349-8

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：

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页码：353 / 357

页数：5

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共 16 条

[1] THEORETICAL-STUDY OF H5+ SYSTEM
AHLRICHS, R
[J]. THEORETICA CHIMICA ACTA, 1975, 39 (02): : 149 - 160
[2] ARIFOV UA, 1971, HIGH ENERG CHEM, V5, P69
[3] ARIFOV UA, 1971, HIGH ENERG CHEM, V5, P79
[4] REVERSIBLE REACTIONS OF GASEOUS IONS .7. HYDROGEN SYSTEM
BENNETT, SL
FIELD, FH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (25) : 8669 - &
[5] CLUSTERING OF COLD HYDROGEN GAS ON PROTONS
CLAMPITT, R
GOWLAND, L
[J]. NATURE, 1969, 223 (5208) : 815 - &
[6] DETECTION OF H5+ IN HYDROGEN GLOW DISCHARGE
DAWSON, PH
TICKNER, AW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (03) : 672 - +
[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[8] UNCOUPLED SYMMETRIC STRETCHING FREQUENCY OF H-3(+)
DYKSTRA, CE
GAYLORD, AS
GWINN, WD
SWOPE, WC
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (08) : 3951 - 3952
[9] BINDING-ENERGY AND GEOMETRY OF HYDROGEN CLUSTERS HN+
HARRISON, SW
MASSA, LJ
SOLOMON, P
[J]. NATURE-PHYSICAL SCIENCE, 1973, 245 (141): : 31 - 32
[10] DETERMINATION OF STABILITIES OF H+-5, H+-7, H+-9, AND H+-11 FROM MEASUREMENT OF GAS-PHASE ION EQUILIBRIA H+-N + H2 = H+-N(+2) (N = 3,5,7,9)
HIRAOKA, K
KEBARLE, P
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (06) : 2267 - 2270