@article { ISI:000178630800032,
	title = {Theoretical study of decomposition pathways for HArF and HKrF},
	journal = {CHEMICAL PHYSICS LETTERS},
	volume = {364},
	year = {2002},
	month = {OCT 16},
	pages = {628-633},
	abstract = {To provide theoretical insights into the stability and dynamics of the new rare gas compounds HArF and HKrF, reaction paths for decomposition processes HRgF {\textendash}> Rg + HF and HRgF {\textendash}> H + Rg + F (Rg = Ar, Kr) are calculated using ab initio electronic structure methods. The bending channels, HRgF {\textendash}> Rg + HF, are described by single-configurational MP2 and CCSD(T) electronic structure methods, while the linear decomposition paths, HRgF {\textendash}> H + Rg + F, require the use of multi-configurational wave functions that include dynamic correlation and are size extensive. HArF and HKrF molecules are found to be energetically stable with respect to atomic dissociation products (H + Rg + F) and separated by substantial energy barriers from Rg + HF products, which ensure their kinetic stability. The results are compatible with experimental data on these systems. (C) 2002 Elsevier Science B.V. All rights reserved.},
	issn = {0009-2614},
	doi = {10.1016/S0009-2614(02)01411-2},
	author = {Chaban, G. M. and Lundell, J. and Gerber, R. B.}
}
