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Aggelos Avramopoulos, Heribert Reis, Josep M. Luis and Manthos G. Papadopoulos On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF Journal of Computational Chemistry 34

Article first published online: 3 APR 2013 | DOI: 10.1002/jcc.23280

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The electronic and vibrational (hyper)polarizabilities of some rare gas derivatives, HXeOXeH, HXeOXeF, and FXeOXeF, are reported. All the studied properties are computed by employing state-of-the-art quantum chemistry methods. This article discusses certain features associated with the remarkable effect of rare gas atom(s) on the electronic and vibrational nonlinear optical properties.

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