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JCC
2007
13 years 7 months ago
2007
: The role of radial nodes, or of their absence, in valence orbitals for chemical bonding and periodic trends is discussed from a unified viewpoint. In particular, we emphasize th...
JCC
2007
13 years 7 months ago
2007
: In this paper, I will look at the rather convoluted discovery process which gave birth to the concept of the shared electron pair bond as developed by G.N. Lewis, to be subsequen...
JCC
2007
13 years 7 months ago
2007
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
JCC
2007
13 years 7 months ago
2007
Abstract: The physical interactions among electrons and nuclei, responsible for the chemistry of atoms and molecules, is well described by quantum mechanics and chemistry is theref...
INFOCOM
2010
IEEE
13 years 5 months ago
2010
IEEE
Abstract--Achieving fast, precise, and scalable fault localization has long been a highly desired feature in all-optical mesh networks. Monitoring tree (m-tree) is an interesting m...