Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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Calculation of the Force Constants of Heteronuclear Diatomic Molecules by Use One Center Function. Ⅱ. Cubic Force Constants

일점전개함수에 의한 Heteronuclear Diatomic Molecules의 Force Constants의 계산 II. Cubic Force Constants

  • Kim Hojing (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University) ;
  • Kim Hie-Joon (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University)
  • 김호징 (서울대학교 문리과대학 화학과) ;
  • 김희준 (서울대학교 문리과대학 화학과)
  • Published : 1972.10.30

Abstract

The cubic force constants of the binary hydrides, LiH, BeH, BH, CH, NH and OH are evaluated by use of the one center function of Bishop et. al. The results are reasonably good. The master formula suggested in the previous report of the present author is found relatively insensitive to the crudities of the wave function.

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