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Molecular dynamics computer simulation of the vibrational spectra of hydroxyl group on silica surface

✍ Scribed by K.S. Smirnov; E.P. Smirnov; A.A. Tsyganenko


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
417 KB
Volume
54-55
Category
Article
ISSN
0368-2048

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## Abstract The adsorption properties of oxalic acid molecules on the surface of hexagonal ice are investigated by means of molecular dynamics simulations performed at tropospheric temperatures. Although the oxalic acid–water interaction is strong at low coverage, due to the possible formation of a