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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 22, Number 6
JKCSEZ 22(6)
December 20, 1978 

 
Title
Calculation of the Dipole Moments for Simple Molecules by the Expansion Method for Spherical Harmonics

Spherical Harmonics의 전개방법에 의한 간단한 분자의 쌍극자모멘트의 계산
Author
Sangwoon Ahn, Byong Bin Park

안상운, 박병빈
Keywords
Abstract
Spherical harmonics의 전개방법에 의하여 쌍극자모멘트의 행렬요소를 계산하는 방법을 사용하여 NH3, HF, CO, HCHO, HCN, PO, PO- 및 H2O 분자의 쌍극자모멘트를 계산하였다. 이 방법에 의하여 계산한 쌍극자모멘트의 값이 다른 방법의 값보다 실험치에 가까웠다.

The dipole moments for NH3, HF, CO, HCHO, HCN, PO, PO- and H2O molecules are calculated, using the method for evaluation of the dipole moment matrix elements by the expansion method for spherical harmonics. The calculated dipole moments in this work are closer to the experimental values than those of the other work.

Page
357 - 364
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