NMR and ETS-NOCV calculations on [Py - Ag/I - Py]+ complexes

Published: 24 October 2023| Version 1 | DOI: 10.17632/gcrknwv4zj.1
Contributor:
Jan Novotny

Description

ZORA and SO-ZORA DFT computations of 15N NMR chemical shift and interaction energies - input and output files for ADF2022

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Institutions

Masarykova univerzita

Categories

Nuclear Magnetic Resonance, DFT Method Application

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