Bonding nature and vibrational signatures of oxirane:(water)(n=1-3). Assessment of the performance of the dispersion-corrected DFT methods compared to the ab initio results and Fourier transform infrared experimental data.

Source:http://linkedlifedata.com/resource/pubmed/id/21604697

J Phys Chem A 2011 Jun 23 115 24 6688-701

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21604697