<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">J P Santos</style></author><author><style face="normal" font="default" size="100%">M. L. Costa</style></author><author><style face="normal" font="default" size="100%">F. Parente</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Theoretical study of the molecular properties of methyl azidoformate and ethyl azidoformate</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Molecular Structure: THEOCHEM</style></secondary-title><short-title><style face="normal" font="default" size="100%">JPS_Articles</style></short-title></titles><dates><year><style  face="normal" font="default" size="100%">2003</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://dx.doi.org/10.1016/S0166-1280(03)00603-1</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">1-3</style></number><volume><style face="normal" font="default" size="100%">639</style></volume><pages><style face="normal" font="default" size="100%">109-115</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Ab initio calculations have been performed to study the methyl azidoformate (N3COOCH3) and the ethyl azidoformate (N3COOCH2CH3). Several molecular properties, such as conformational equilibrium, optimal geometry, and vibrational frequencies, have been computed for these molecules. Ionization energies based on Koopman&amp;apos;s theorem were also computed.&lt;/p&gt;
</style></abstract><notes><style face="normal" font="default" size="100%">&lt;p&gt;doi:10.1016/S0166-1280(03)00603-1JPS-Ref15&lt;/p&gt;
</style></notes><custom3><style face="normal" font="default" size="100%">papers3://publication/uuid/1E03E86D-F317-4CD4-A372-86C7A5B96A79</style></custom3><label><style face="normal" font="default" size="100%">r03183</style></label></record></records></xml>