Search for dissertations about: "ms-caspt2"

Found 1 swedish dissertation containing the word ms-caspt2.

2. 1. Heavy-Core Staffanes : A Computational Study of Their Fundamental Properties of Interest for Molecular Electronics

   Author : Niclas Sandström; Henrik Ottosson; Leif Hammarström; Bo Albinsson; Uppsala universitet; []
   Keywords : Organic chemistry; conjugation; polarizability; Group 14 elements; cage compounds; electronic excitations; quantum chemistry; molecular electronics; Organisk kemi;

   Abstract : The basic building blocks in molecular electronics often correspond to conjugated molecules. A compound class consisting of rigid rod-like staffane molecules with the heavier Group 14 elements Si, Ge, Sn and Pb at their bridgehead positions has now been investigated. READ MORE