@article {8113,
	title = {Theoretical study of the molecular properties of methyl 2-azidopropionate and methyl 3-azidopropionate},
	journal = {Journal of Molecular Structure: THEOCHEM},
	volume = {894},
	number = {1-3},
	year = {2009},
	note = {<p>doi: DOI: 10.1016/j.theochem.2008.10.007Webpage CFA-FCTUNL</p>
},
	pages = {80-87},
	abstract = {<p>An extensive conformational analysis was carried at ab initio and DFT levels of theory on two molecules - methyl 2-azidopropionate (N3CH3CHCOOCH3) and methyl 3-azidopropionate (N3CH2CH2COOCH3). In each case, the lowest energy conformers were characterized and the energy barriers between them were estimated. Ionization energies and vibrational frequencies were also computed, in order to support future spectroscopic studies with ultraviolet photoelectron spectroscopy (UVPES) and matrix isolation infrared spectroscopy (Matrix Isolation FTIR).</p>
},
	url = {http://www.sciencedirect.com/science/article/B6TGT-4TPHRHP-2/2/bf3660141ac174abe19b12316c4366b3},
	author = {R. M. Pinto and A. A. Dias and M. L. Costa}
}
