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28-07-2020 | Correction | Issue 13/2020

Cellulose 13/2020

Correction to: Conformational analysis of xylobiose by DFT quantum mechanics

Journal:
Cellulose > Issue 13/2020
Authors:
Zhe Ling, J. Vincent Edwards, Sunghyun Nam, Feng Xu, Alfred D. French
Important notes
The original article can be found online at https://​doi.​org/​10.​1007/​s10570-019-02874-3.

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During the preparation of a follow-on manuscript, it was discovered that values of the temperatures of the distribution were miscalculated. The correct formula for the temperature is T = 1/(coefficient * R), where R = 0.001987 (the universal gas constant in kcal/(deg mol) and coefficient is the parameter from the exponential curve fitting y = e −coefficient · x where y is the probability of structures with each energy value, and x is the value of the energy. ...

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