Published April 12, 2021 | Version v1
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CIDNP field dependence simulation program for flexible biradicals

  • 1. International Tomography Center SB RAS: Novosibirsk, Russia, RU

Description

Fortran source code file, compiled executable file and necessary input files for runing simulations of chemically induced dynamic nuclear polarization (CIDNP) and stimulated nuclear polarization (SNP) field dependences for flexible biradicals with alternating exchange interaction. See refs.1 and 2 for details.

[1] De Kanter, F. J. J., et al. "Biradical CIDNP and the dynamics of polymethylene chains." Molecular Physics 34.3 (1977): 857-874.

[2] Koptyug, I. V., et al. "Calculation of stimulated nuclear polarization in short-lived biradicals and comparison with experiment." Chemical physics 162.1 (1992): 165-176.

Files

CIDNP simulation progs.zip

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Related works

Is cited by
Journal article: 10.5194/mr-2-1-2021 (DOI)