Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/40503
Title: On the mechanism of gas phase decomposition of hydrogen peroxide : A theoretical study
Authors: De, N K
De, B R
Issue Date: Mar-1997
Publisher: NISCAIR-CSIR, India
Abstract: Quantum mechanical study of gas phase decomposition of hydrogen peroxide has been carried out by semiempirical MNDO method. After construction of the potential energy surface, the energetically favourable reaction paths have been characterised. The results have been compared with the results obtained from experiment and those obtained from earlier theoretical studies. The results of the present work are in excellent agreement with the experimental findings. The MNDO method is much more reliable than other methods for study of reaction path.
Page(s): 210-212
URI: http://nopr.niscair.res.in/handle/123456789/40503
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.36A(03) [March 1997]

Files in This Item:
File Description SizeFormat 
IJCA 36A(3) 210-212.pdf301.85 kBAdobe PDFView/Open


Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.