2020•Journal of Organometallic ChemistryRequires access

Quantum-chemical study of organic reaction mechanisms. IX. The interaction of benzoylacetylene with dithio- and diselenomalonamides

Elena Chirkina, Л. И. Ларина, T. N. Komarova

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Key concepts: Chemistry, Polarizable continuum model, Quantum chemical, Computational chemistry, Density functional theory, Basis set, Polarizability, Molecule