Pure and Applied Chemistry, Keyword <em> </em>density functional theory

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Articles with keyword " density functional theory"

John Slattery, Robert J. Thatcher, Qi Shi and Richard E. Douthwaite

Comparison of donor properties of N‑heterocyclic carbenes and N-donors containing the 1H-pyridin-(2E)-ylidene motif

2010, Vol. 82, Issue 8, pp. 1663-1671 [Details + Abstract] [Full text - pdf 219 kB]