diffusion NMR
- 0 Collaborators
DiffAtOnce is a software package able to obtain quantitative self-diffusion data in a very straightforward manner allowing the calculation of radii including different molecular models which is not only restricted to spheres. The program works with any conventional or “home-made” sequence, and allow ...learn more
Project status: Concept
oneAPI, HPC, Artificial Intelligence
Intel Technologies
DevCloud
Overview / Usage
What is DiffAtOnce? Get self-diffusion coefficients and molecular size and shape in an easy way. DiffAtOnce is a software package able to obtain quantitative self-diffusion data in a very straightforward manner allowing the calculation of radii including different molecular models which is not only restricted to spheres. The program works with any conventional or “home-made” sequence, and allows the introduction of different standards, viscosities, gradient-pulse shapes, sequences and so forth.