27 research outputs found
Mechanism of Nitric Oxide Oxidation Reaction (2NO + O 2
The reaction between molecular oxygen and two nitric oxide(II) molecules is studied with high-level ab initio wave function methods, including geometry optimizations with coupled cluster (CCSD(T,full)/cc-pCVTZ) and complete active space with second order perturbation theory levels (CASPT2/cc-pVDZ). The energy at the critical points was refined by calculations at the CCSD(T,full)/aug-cc- pCVTZ level. The controversies found in the previous theoretical studies are critically discussed and resolved. The best estimate of the activation energy is 6.47 kJ/mol. © 2011 American Chemical Society
Rescaling metropolitan governance: examining discourses and conflicts in two Swiss metropolitan areas
Due to their nodal position in economic and social development, metropolitan areas give impetus to globalization. In turn, they are themselves transformed by this process. However, the question of how metropolitan areas transform by participating in the process of globalization is subject to debate. Based on case studies of two Swiss metropolitan areas (Berne and Zurich) and two policy domains (public transport and urban foreign policy), we argue that the rescaling process in metropolitan areas depends on the global competitiveness pressure the cities face and on the meaning that political actors give to these global pressures