Paradigms and paradoxes: The position of the lone pair in amines: A comparison between Bader's AIM approach and pure geometrical considerations Alkorta M. auteur aut IRD Elguero J. auteur aut IRD Elguero E. auteur aut IRD text journalArticle eng The position of the lone pair of 17 amines has been located with the help of Bader's AIM methodology. This position has been compared with those estimated with simple geometrical models. It appears that these models are convenient only for some symmetrical or undistorted cases. specialized amines lone pair Bader' s analysis B3LYP/6 311++G** calculations Structural Chemistry 15 6 599-604 2004 1040-0400 https://www.documentation.ird.fr/hor/PAR00000057 10.1007/s11224-004-0735-y 1040-0400 https://www.documentation.ird.fr/hor/PAR00000057 IRD - Base Horizon / Pleins textes 2006-03-29 2017-08-23 PAR00000057 fre