Determination of Electric Field Gradients by Ab Initio Calculations and NMR Relaxation Experiments
碩士 === 國立成功大學 === 化學系 === 87 === The electric field gradients(efg)in the vicinity of fluorine or chlorine atoms in fluoromethanes and chloromethanes have been obtained by spin-restricted Hartree-Fock(RHF)6-311G** calculations using Gaussian 92 package. It is found that both inductive eff...
Main Authors: | , |
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Other Authors: | |
Format: | Others |
Language: | zh-TW |
Published: |
1999
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Online Access: | http://ndltd.ncl.edu.tw/handle/40182956639724583178 |