Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/95276
Title: Theoretical study of I2O
Authors: Novak, I. 
Issue Date: 1998
Citation: Novak, I. (1998). Theoretical study of I2O. Heteroatom Chemistry 9 (4) : 383-385. ScholarBank@NUS Repository.
Abstract: We present high-level density functional calculations (DFT) on the unknown I2O molecule. The results suggest that the compound may be sufficiently stable for detection and synthesis. Our results also suggest that the DFT method is a reliable and computationally cheap alternative to G2, for estimating thermodynamic properties. The trends in relative stabilities within the HOX and X2O series are discussed (X=halogen). © 1998 John Wiley & Sons, Inc.
Source Title: Heteroatom Chemistry
URI: http://scholarbank.nus.edu.sg/handle/10635/95276
ISSN: 10427163
Appears in Collections:Staff Publications

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