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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… Click to show full abstract
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.
Keywords:
theoretically calculated;
statistical analysis;
chemistry;
analysis theoretically;
calculated values
Journal Title: Structural Chemistry
Year Published: 2018
Link to full text (if available)
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Journal Title: Structural Chemistry
Year Published: 2018
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!