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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 12, Number 1
BKCSDE 12(1)
January 20, 1991

Title	Ab initio SCF Calculations of Potential Energy Surfaces for the Proton Transfer in a Formamide Dimer
Author	Young Shik Kong, Mu Shik Jhon*
Keywords
Abstract	Potential energy surfaces for the proton transfer in a formamide dimer have been obtained by ab initio SCF calculations with STO-3G, 3-21G, and 4-31G basis sets and several features have been discussed. Energy minima for a formamide dimer and its tautomer are varied with basis sets. But the general features of the potential energy surfaces are similar among them.
Page	22 - 26
Full Text	PDF

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