Chinese Journal of Magnetic Resonance ›› 1984, Vol. 1 ›› Issue (2-3): 143-152.

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THE CALCULATION OF NUCLEAR SPIN-SPIN COUPLING CONSTANTS Ⅲ THE CALCULATION OF H-H COUPLING CONSTANTS 3J、4J、5J……IN HYDROCARBON MOLECULES

Yang Wenhuo   

  1. Fujian Institute of the Structure of Mafter, Academia Sinica
  • Received:1982-10-18 Published:1984-04-05 Online:2018-01-25

Abstract: The principle and method for calculating geminal coupling constants 2J has been extended to the calculation of three bonds coupling constants 3J and long range coupling constants 4J,5J……in hydrocarbon molecules. The calculated result of 57 coupling constants in 20 compouds shows that there is a better agreement between the calculated and the experimental results only with few exceptions