화학공학소재연구정보센터
Chemical Physics Letters, Vol.388, No.1-3, 228-229, 2004
Comment on'A computational study of the novel metastable compound HKrSH' [S.A.C. McDowell, Chem. Phys. Lett. 372 (2003) 553-556]
A recent computational study published in this journal suggests that a novel metastable molecule HKrSH exists and calculations at the MP2/6-311++G(2d,2p) level indicate a barrier high enough to trap this molecule in its local stable configuration. However, the report fails to present all factors influencing its stability and these inadequacies greatly affect the conclusions on the existence and experimental characterisation of such species. (C) 2004 Elsevier B.V. All rights reserved.