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On the performance of generalized valence bond theory in predicting magnetic exchange coupling constant in organic diradicals: A comparison with Hartree-Fock theory
Sarkar, Sudip, Goswami, Tamal, Bhattacharya, Debojit, Misra, AnirbanLanguage:
english
Journal:
Computational and Theoretical Chemistry
DOI:
10.1016/j.comptc.2017.03.022
Date:
March, 2017
File:
PDF, 550 KB
english, 2017