<?xml version="1.0"?>
<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:title>About the statistical analysis of theoretically calculated values</dc:title>
  <dc:creator>Elguero, J.</dc:creator>
  <dc:creator>/Elguero, Eric</dc:creator>
  <dc:subject>Polynomial</dc:subject>
  <dc:subject>Morse equation</dc:subject>
  <dc:subject>NMR properties</dc:subject>
  <dc:subject>Spin-spin coupling constants</dc:subject>
  <dc:description>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.</dc:description>
  <dc:date>2019</dc:date>
  <dc:type>text</dc:type>
  <dc:identifier>https://www.documentation.ird.fr/hor/fdi:010074926</dc:identifier>
  <dc:identifier>fdi:010074926</dc:identifier>
  <dc:identifier>Elguero J., Elguero Eric. About the statistical analysis of theoretically calculated values. 2019, 30 (1),  283-287</dc:identifier>
  <dc:language>EN</dc:language>
</oai_dc:dc>
