THEORETICAL STUDIES ON STABILITY OF H3O RADICAL BASED ON ABINITIO UHF-CI CALCULATIONS

被引：53

作者：

NIBLAEUS, KSE

ROOS, BO

SIEGBAHN, EM

机构：

[1] ROYAL INST TECHNOL,DEPT NUCL CHEM,S-10044 STOCKHOLM 70,SWEDEN

[2] UNIV STOCKHOLM,INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN

来源：

CHEMICAL PHYSICS | 1977年 / 25卷 / 02期

关键词：

D O I：

10.1016/0301-0104(77)87077-8

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：

引用

页码：207 / 213

页数：7

共 25 条

[1]

ALMLOF J, 1974, USIP7429 U STOCKH I

[2] INTEGRAL CROSS-SECTION H-H2O AT THERMAL ENERGIES [J].

BASSI, D ;

PAZ, MD ;

PESCE, A ;

TOMMASINI, F .

CHEMICAL PHYSICS LETTERS, 1974, 26 (03) :422-424

[3] H ATOM ADDUCTS-NEW FREE RADICALS [J].

BERNSTEIN, HJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (04) :484-&

[4] THEORETICAL INVESTIGATION OF H30 AND H40+ [J].

BISHOP, DM .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) :2474-&

[5] MASS-SPECTROMETRIC AND THEORETICAL EVIDENCE FOR NH4 AND H3O [J].

BISHOP, DM .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (11) :5285-&

[6] ELECTRON-SPIN RESONANCE FOR TRAPPED HYDROGEN-ATOMS IN AQUEOUS-MEDIA - COMMENTS AND CALCULATIONS ON RADICALS H3O2+ AND H3O [J].

CLAXTON, TA ;

GINNS, IS ;

GODFREY, MJ ;

RAO, KVS ;

SYMONS, MCR .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1973, 69 (02) :217-223

[7] SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O [J].

DIERCKSEN, GHF ;

KRAEMER, WP ;

ROOS, BO .

THEORETICA CHIMICA ACTA, 1975, 36 (04) :249-274

[8] MO-CALCULATIONS ON STABILITY OF H3O-RADICAL IN WATER [J].

EFSKIND, L .

ACTA CHEMICA SCANDINAVICA, 1972, 26 (10) :4147-4156

[9] THEORETICAL CONFIRMATION OF STABILITY OF H3O RADICAL [J].

GANGI, RA ;

BADER, RFW .

CHEMICAL PHYSICS LETTERS, 1971, 11 (02) :216-&

[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

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