Is the spin‐orbit coupling important in the prediction of the51V hyperfine coupling constants of VIVO2+species? ORCA versus Gaussian performance and biological applications
Author:
Affiliation:
1. Dipartimento di Chimica e Centro Interdisciplinare per lo Sviluppo della Ricerca Biotecnologica e per lo Studio della Biodiversità della Sardegna, Università di Sassari, Via Vienna 2, I‐07100 Sassari, Italy
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.21862
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