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Activity of the rocuronium molecule and its derivatives: A theoretical calculation
(ELSEVIER SCIENCE BV, 2019)
In the present work neuromuscular blocking rocuronium drugs were studied theoretically using the HF and B3LYP methods with the 3-21G, 6-31G, 6-311G, 6-31G (d, p) and CEP-31G basis sets. The transfer integrals (t) and the ...