THEORETICAL STUDIES OF HEAVY-ATOM MAGNETIC SHIELDING IN SOME SMALL POLYATOMIC-MOLECULES

被引：30

作者：

APPLEMAN, BR

TOKUHIRO, T

FRAENKEL, G

KERN, CW

机构：

[1] OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210

[2] BATTELLE MEM INST,COLUMBUS,OH 43201

来源：

JOURNAL OF CHEMICAL PHYSICS | 1974年 / 60卷 / 07期

关键词：

D O I：

10.1063/1.1681409

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：2574 / 2583

页数：10

共 28 条

[1]

Appleman B. R., 1974, ADV MAG RESONANCE, V7, P231, DOI DOI 10.1016/B978-0-12-025507-8.50010-3

[2] FLUORINE CHEMICAL SHIELDING IN CH3F [J].

APPLEMAN, BR ;

TOKUHIRO, T ;

FRAENKEL, G ;

KERN, CW .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (01) :400-402

[3] 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 [J].

Arrighini, G. P. ;

Maestro, M. ;

Moccia, R. .

CHEMICAL PHYSICS LETTERS, 1970, 7 (03) :351-353

[4] MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .I. MAGNETIC SUSCEPTIBILITY OF H2O,NH3, CH4, H2O2 [J].

ARRIGHINI, GP ;

MAESTRO, M ;

MOCCIA, R .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (02) :882-+

[5]

BHATTACHARYYA P, PRIVATE COMMUNICATIO

[6] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07) :1944-&

[7] CALCULATION OF POLARIZABILITIES AND SHIELDING FACTORS [J].

DALGARNO, A ;

MCNAMEE, JM .

JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (04) :1517-&

[8] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .11. MOLECULAR ORBITAL THEORY OF NMR CHEMICAL SHIFTS [J].

DITCHFIELD, R ;

MILLER, DP ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (10) :4186-+

[9] MOLECULAR-ORBITAL THEORY OF MAGNETIC SHIELDING AND MAGNETIC SUSCEPTIBILITY [J].

DITCHFIELD, R .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5688-+

[10]

DITCHFIELD R, 1972, INT REV SCIENCE PHYS, V1

← 1 2 3 →