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Murphy, Kevin V.; Turney, Justin M.; Schaefer, Henry F., III. – Journal of Chemical Education, 2018
Preceding even the Hartree-Fock method, molecular integrals are the very foundation upon which quantum chemical molecular modeling depends. Discussions of molecular integrals are normally found only in advanced and technical texts or articles. The objective of the present article is to provide less experienced readers, or students in a…
Descriptors: Teaching Methods, Molecular Structure, Chemistry, Science Instruction