Titlebook: Isaiah Shavitt; A Memorial Festschri Ron Shepard,Russell M. Pitzer,Thom Dunning Book 2016 Springer-Verlag Berlin Heidelberg 2016 Isaiah Sha

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,Singlet–triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods,e become test systems for the applications of various multi-reference (MR) coupled-cluster methods. We report results close to the basis set limit computed with double ionization potential (DIP) and double electron attachment (DEA) equation-of-motion coupled-cluster methods. These diradicals share t

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Anchoring the potential energy surface for the , reaction,l energy surface for the Br + H.O → HBr + OH reaction, including the entrance complex, transition state, and exit complex, have been studied using the CCSD(T) method with correlation-consistent basis sets up to cc-pV5Z-PP. Contrary to the valence isoelectronic F + H2O system, the Br + H.O reaction i

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Why edge inversion? Theoretical characterization of the bonding in the transition states for invershrough a T-shaped transition state (edge inversion) rather than the D.-like transition states (vertex inversion) found in the corresponding nitrogen compounds and less fluorinated phosphorus compounds. Subsequent studies by Dixon and coworkers established that this is a general phenomenon and has im

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A comparison of singlet and triplet states for one- and two-dimensional graphene nanoribbons using purpose, highlevel ab initio calculations have been performed using the multireference averaged quadratic coupled cluster theory and the COLUMBUS program package. A reference space consisting of restricted and complete active spaces is taken for the π-conjugated space, correlating 16 electrons with

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Jacek Karwowski,Henryk A. Witekof research based on the database created by the Michigan Educational Assessment Program, the result of a careful research effort of Michigan schools by researchers such as Wilbur Brookover, Larry Lezotte, and the late Ron Edmonds (See Lezotte, 1989). Termed the “effective schools research,” these a

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Rei Matsuzaki,Shigeko Asai,C. William McCurdy,Satoshi Yabushitam. The interest in performance assessment represents nothing less than a grass-roots rebellion against an assessment system that has made little sense to most of its users. The advocacy for performance assessment extends well beyond its usefulness as an improved source of educational information. Pe

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