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Autor:
Marcelo T. de Oliveira, Júlia M. A. Alves, Natália L. Vrech, Ataualpa A. C. Braga, Cristina A. Barboza
Publikováno v:
Physical chemistry chemical physics : PCCP.
The application of various density functional approximations (DFAs) and an emphasis on popular methods without any consensus have prevailed in computational studies dedicated to carbocations. More importantly, an extensive and rigorous benchmark inve