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Publikováno v:
Molecules, Vol 29, Iss 5, p 1043 (2024)
The interaction energies of two series of molecular balances (1-X with X = H, Me, OMe, NMe2 and 2-Y with Y = H, CN, NO2, OMe, NMe2) designed to probe carbonyl…carbonyl interactions were analysed at the B3LYP/6-311++G(d,p)-D3 level of theory using t
Externí odkaz:
https://doaj.org/article/a7c407d456a6466e9fc77c412680b0ba