%0 Journal Article
%9 ACL : Articles dans des revues avec comité de lecture répertoriées par l'AERES
%A Elguero, J.
%A Elguero, Eric
%T About the statistical analysis of theoretically calculated values
%D 2019
%L fdi:010074926
%G ENG
%J Structural Chemistry
%@ 1040-0400
%K Polynomial ; Morse equation ; NMR properties ; Spin-spin coupling constants
%M ISI:000456291900026
%N 1
%P 283-287
%R 10.1007/s11224-018-1201-6
%U https://www.documentation.ird.fr/hor/fdi:010074926
%> https://www.documentation.ird.fr/intranet/publi/2019/02/010074926.pdf
%V 30
%W Horizon (IRD)
%X From examples of our papers, we will show that theoretically calculated properties', mainly spin-spin coupling constants, dependence with the distance presents a profile that is similar to the Morse potential energy function. This kind of function should be preferred to polynomial regression models.
%$ 020