화학공학소재연구정보센터
Chemical Physics Letters, Vol.368, No.5-6, 589-593, 2003
Transition metal-noble gas bonding: the next frontier
Recently developed well-tempered model core potentials were reparameterized and used to study the interactions between the coinage metal monohalides and a heavier rare gas atom RgMX (Rg = Ar, Kr, Xe; M = Cu, Ag, Au; X = F, Cl). Geometries and binding energies were calculated for these systems at the MP2 level of theory in order to aid in spectroscopic identification of these compounds. (C) 2002 Elsevier Science B.V. All rights reserved.