CALCULATION OF MOLECULAR ONE-ELECTRON PROPERTIES - COMPARATIVE-STUDY ON FH AND H2O

被引：49

作者：

SWANSTROM, P ^{[1
]}

KRAEMER, WP ^{[1
]}

DIERCKSEN, GHF ^{[1
]}

机构：

[1] MAX PLANCK INST PHYS & ASTROPHYS, D-8000 MUNICH 40, FED REP GER

来源：

THEORETICA CHIMICA ACTA | 1977年 / 44卷 / 02期

关键词：

D O I：

10.1007/BF00549095

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：109 / 127

页数：19

共 45 条

[1] Magnetic properties of polyatomic molecules. III. Magnetic shielding constants of heavy nuclei in (H2O)-O-17, (NH3)-N-14, (CH4)-C-13 and (CH3F)-C-13
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Maestro, M.
Moccia, R.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (03) : 351 - 353
[2] SCF MOS AND MOLECULAR PROPERTIES OF H2O
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (03) : 1037 - +
[3] MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .2. PROTON MAGNETIC SHIELDING CONSTANTS IN H2O, NH3, CH4, AND CH3F
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12) : 6411 - +
[4] THEORETICAL STUDY OF SEVERAL ELECTRONIC STATES OF HYDROGEN FLUORIDE MOLECULE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) : 4989 - &
[5] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
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HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) : 614 - &
[6] SIMPLE EVALUATION OF PARAMAGNETIC PART OF PROTON MAGNETIC SHIELDING CONSTANT
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DAS, TP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (07) : 1527 - &
[7] DIPOLE-MOMENT OF WATER FROM STARK MEASUREMENTS OF H2O, HDO, AND D2O
CLOUGH, SA
BEERS, Y
KLEIN, GP
ROTHMAN, LS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) : 2254 - 2259
[8] SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O
DIERCKSEN, GHF
KRAEMER, WP
ROOS, BO
[J]. THEORETICA CHIMICA ACTA, 1975, 36 (04): : 249 - 274
[9] DIERCKSEN GHF, TO BE PUBLISHED
[10] MOLECULAR-ORBITAL THEORY OF MAGNETIC SHIELDING AND MAGNETIC SUSCEPTIBILITY
DITCHFIELD, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) : 5688 - +

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