APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY OF NUCLEAR SPIN COUPLING .1. DIRECTLY BONDED CARBON-HYDROGEN COUPLING CONSTANTS

被引:222
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MACIEL, GE
MCIVER, JW
OSTLUND, NS
POPLE, JA
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10.1021/ja00704a001
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O6 [化学];
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0703 ;
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[41]  
REDDY GS, 1962, J AM CHEM SOC, V84, P336
[42]   EFFECTS OF EXCITATION ENERGIES ON NUCLEAR SPIN COUPLING CONSTANTS [J].
SAIKA, A .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) :2715-&
[43]  
SALEM L, 1965, J CHEM PHYS, V43, P3402
[44]   DEPENDENCE OF C-13-PROTON SPIN COUPLING CONSTANTS ON S-CHARACTER OF THE BOND [J].
SHOOLERY, JN .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (05) :1427-1428
[45]   Atomic shielding constants [J].
Slater, JC .
PHYSICAL REVIEW, 1930, 36 (01) :0057-0064
[46]   C13 SPLITTINGS IN PROTON AND FLUORINE NUCLEAR MAGNETIC RESONANCE SPECTRA OF HALOGENATED ALIPHATIC COMPOUNDS [J].
VANDERKELEN, GP ;
EECKHAUT, Z .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1963, 10 (02) :141-&
[47]   A MAXIMUM OVERLAP ORBITAL CALCULATION OF 13C-H COUPLING CONSTANTS IN VINYL HALIDES [J].
WATTS, VS ;
GOLDSTEI.JH .
THEORETICA CHIMICA ACTA, 1966, 4 (03) :265-&
[48]   COUPLING PARAMETERS FROM 13C-H SATELLITE NUCLEAR MAGNETIC RESONANCE SPECTRA OF 1-SUBSTITUTED AZIRIDINES [J].
YONEZAWA, T ;
MORISHIMA, I .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1968, 27 (1-4) :210-+