volume 136, issue 1, P20-28 2007
DOI: 10.1016/j.mseb.2006.08.063
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Abstract: The guanidinium cations seem to be very interesting chemical species which can be used in design of molecular complexes with exactly planed chemical and physical properties suitable for nonlinear optics (NLO).The molecular structure of guanidinium cation C(NH 2 ) + has been calculated with the aim of density functional (B3LYP) method with the extended 6-311 + G(df,dp) basis set. The calculated geometrical parameters of guanidinium cation in gas phase were compared with experimental data of other guanidinium c…

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