Publication - Journal Article Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH₃)₄]^q, q = −2, −1, +2, +3

Journal Article

Journal of Chemical Theory and Computation, vol. 17, iss. 10, pp. 6080-6091, 2021

Authors

Demeter Tzeli, Simone Raugei, Sotiris S. Xantheas

Language English

Publication - Journal Article Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH3)4]q, q = −2, −1, +2, +3