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Scientific Journal of Samarkand University

Abstract

In this paper we present an unique high resolution FTIR rotation-vibration spectrum of H19F molecule and derived most necessary line by line parameters of the title complex. The formation mechanisms of the vibration-rotation infrared spectrum of the hydrogen fluoride have been explained. Optimal geometry and total electron density surface 3D have been mapped with electrostatic potential determined for (HF)3 cluster with mp2=full/6-311++g(3df,3pd) levels of theory.

First Page

144

Last Page

148

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