Experimental data and AB initio calculations of some one-electron properties of the H2O molecule: A comparison

被引：12

作者：

Arrighini, G. P. ^{[1
]}

Guidotti, C. ^{[2
]}

机构：

[1] Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy

[2] CNR, Lab Chim Quantist Energet mol, I-56100 Pisa, Italy

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 6卷 / 05期

关键词：

D O I：

10.1016/0009-2614(70)85185-5

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：

Several properties of H2O molecule are evaluated by employing fairly accurate wavefunctions of SCF and C.I. type and the results are compared with experiments.

引用

页码：435 / 437

页数：3

共 16 条

[1] SCF MOS AND MOLECULAR PROPERTIES OF H2O
ARRIGHINI, GP
GUIDOTTI, C
SALVETTI, O
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (03) : 1037 - +
[2] MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .I. MAGNETIC SUSCEPTIBILITY OF H2O,NH3, CH4, H2O2
ARRIGHINI, GP
MAESTRO, M
MOCCIA, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (02) : 882 - +
[3] ARRIGHINI GP, UNPUB
[4] ARRIGHINI GP, UNPUB J CHEM PHYS
[5] APPROXIMATE HARTREE-FOCK WAVEFUNCTIONS ONE-ELECTRON PROPERTIES AND ELECTRONIC STRUCTURE OF WATER MOLECULE
AUNG, S
PITZER, RM
CHAN, SI
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2071 - +
[6] HYPERFINE STRUCTURE OF HDO AND D2O BY BEAM MASER SPECTROSCOPY
BLUYSSEN, H
VERHOEVEN, J
DYMANUS, A
[J]. PHYSICS LETTERS A, 1967, A 25 (03) : 214 - +
[7] HYPERFINE STRUCTURE OF H2O AND HDSE BY BEAM-MASER SPECTROSCOPY
BLUYSSEN, H
DYMANUS, A
VERHOEVEN, J
[J]. PHYSICS LETTERS A, 1967, A 24 (09) : 482 - +
[8] SIMPLE EVALUATION OF PARAMAGNETIC PART OF PROTON MAGNETIC SHIELDING CONSTANT
CHAN, SI
DAS, TP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (07) : 1527 - &
[9] SPIN-ROTATION INTERACTION + MAGNETIC SHIELDING IN MOLECULES
FLYGARE, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (03) : 793 - &
[10] SOME 1-ELECTRON PROPERTIES OF H2O AND NH3
HARRISON, JF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) : 2990 - +

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