@article{54d1ab3bff09449485b4d648ed97d517,
title = "Theoretical study of the molecular properties of methyl azidoformate and ethyl azidoformate",
abstract = "Ab initio calculations have been performed to study the methyl azidoformate (N3COOCH3) and the ethyl azidoformate (N 3COOCH2CH3). Several molecular properties, such as conformational equilibrium, optimal geometry, and vibrational frequencies, have been computed for these molecules. Ionization energies based on Koopman's theorem were also computed.",
keywords = "Ab initio, Ethyl azidoformate, Methyl azidoformate",
author = "Santos, {Jos{\'e} Paulo} and Costa, {Maria de Lourdes} and Fernando Parente",
note = "Funding Information: This work is part of the {\textquoteleft}Reactive Intermediates{\textquoteright} EC Network (HPRN-CT-2000-00006) and was supported in part by Funda{\c c}{\~a}o para a Ci{\^e}ncia e Tecnologia (Portugal) through the projects POCTI (35526/99) and POCTI (10030/98).",
year = "2003",
month = nov,
day = "3",
doi = "10.1016/S0166-1280(03)00603-1",
language = "English",
volume = "639",
pages = "109--115",
journal = "Journal of Molecular Structure: THEOCHEM",
issn = "0166-1280",
publisher = "Elsevier Science B.V., Amsterdam.",
number = "1-3",
}