THE INTERACTION OF Co<sup>2+</sup>-AMMONIA MODELLING: THE COMPARATIVE STUDY BETWEEN AB INITIO AND ELECTRON CORRELATION METHODS

THE INTERACTION OF Co<sup>2+</sup>-AMMONIA MODELLING: THE COMPARATIVE STUDY BETWEEN AB INITIO AND ELECTRON CORRELATION METHODS

Research on comparison between Hartree-Fock method and electron correlation methods as well as the effect of size of basis sets on representing interaction of Co2+-NH3 observed from complex energy parameters and optimum geometric parameters have been carried out.The first step is screening basis set...

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Bibliographic Details
Main Authors:	Harno Dwi Pranowo, Foliatini Foliatini, Karna Wijaya
Format:	Article
Language:	English
Published:	Department of Chemistry, Universitas Gadjah Mada 2010-06-01
Series:	Indonesian Journal of Chemistry
Online Access:	https://jurnal.ugm.ac.id/ijc/article/view/21916

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