Current time in Korea 13:51 Dec 04 (Fri) Year 2020 KCS KCS Publications
KCS Publications
My Journal  Log In  Register
HOME > Search > Browsing(BKCS) > Archives

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