Wyniki wyszukiwania dla: Shih-Sun Chen
artykuł
Computational and Theoretical Chemistry > 2013 > 1008 > Complete > 39-45
Structures of several singlet BeSi 4 clusters including transition state complexes were obtained at the level of B3LYP/6-311++G(3df). All have a tiny positive charge on Be, implying a covalent nature in Be–Si bonds that agrees with the small electronegativity difference between the two elements. Most species also have a hypervalent Be atom that may be associated with the high reactivity of...
