Modelling of spectroscopic and structural properties using molecular dynamics
The work described here was carried out at the European Lab. for Non-Linear Spectroscopy (LENS) to achieve a better understanding of molecular vibrations employing computer simulations. H-bonds are the main intermolecular interactions affecting vibrational spectra and here it’s shown how they usuall...
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| Superior document: | Premio Tesi di Dottorato |
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| Year of Publication: | 2014 |
| Language: | English |
| Series: | Premio Tesi di Dottorato
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| Physical Description: | 1 electronic resource (236 p.) |
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Electronic
| DOAB Directory of Open Access Books | Available |