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Metal Atom Vibrational Amplitudes in Decamethylferrocene and Related Organometallics

โœ Scribed by Rolfe H. Herber; Israel Nowik; Volker Kahlenberg; Holger Kopacka; Herwig Schottenberger


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
121 KB
Volume
2006
Category
Article
ISSN
1434-1948

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Diffusion quantum Monte Carlo (DQMC) simulations are used to study the vibrational ground state of the clusters Hg(H2)12 and Mg(H2)I2. In these clusters, the metal atom is located inside, surrounded by a highly delocalized, liquid-like and, for Hg(H 2)12, also nearly spherical envelope of hydrogens.