MOLECULAR-ORBITAL THEORIES OF NMR CHEMICAL-SHIFTS

被引:69
作者
DITCHFIELD, R
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D O I
10.1016/0009-2614(72)80149-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
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070304 ; 081704 ;
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页码:203 / +
页数:1
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[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 [J].
Arrighini, G. P. ;
Maestro, M. ;
Moccia, R. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (03) :351-353
[2]   MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .2. PROTON MAGNETIC SHIELDING CONSTANTS IN H2O, NH3, CH4, AND CH3F [J].
ARRIGHINI, GP ;
MAESTRO, M ;
MOCCIA, R .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12) :6411-+
[3]   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]   SELF-CONSISTENT MOLECULAR ORBITAL CALCULTIONS ON PI-ELECTRON SYSTEMS .2. DIAMAGNETIC SUSCEPTIBILITIES [J].
DAVIES, DW .
TRANSACTIONS OF THE FARADAY SOCIETY, 1961, 57 (12) :2081-&
[6]   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-+
[7]   SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5001-+
[8]  
EMSLEY JW, 1965, HIGH RESOLUTION NMR
[9]   EMPIRICAL METHOD FOR ESTIMATING DIAMAGNETIC ANISOTROPY EFFECTS IN NMR SPECTROSCOPY, BASED UPON USE OF C13-H COUPLING CONSTANTS [J].
GOLDSTEIN, JH ;
REDDY, GS .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (10) :2644-&
[10]   RING CURRENTS AND THEIR EFFECTS IN AROMATIC MOLECULES [J].
HALL, GG ;
HARDISSON, A .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1962, 268 (1334) :328-+