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An analytical model for the study of anharmonic dynamics in surfaces

โœ Scribed by A. Khater


Book ID
117216097
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
168 KB
Volume
496
Category
Article
ISSN
0039-6028

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One-dimensional potential energy expansions in stretching, bending and rigid-body translational and rotational coordinates up to fourth order have been calculated for bound Hz0 molecules by ab initio MO LCAO SCF methods. Water in crystalline ice and LiOH.H20 have been simulated by calculations on (H