…iew in: PubMed Mentions: 25 Fields: Vindication of Yb2Ti2O7 as a model exchange quantum spin ice. Phys Rev Lett. 2012 Aug 31; 109(9):097205. Applegate R , Hayre NR, Singh RR, Lin T, Day AG, Gingras MJ. PMID: 23002878. View in: PubMed Mentions: 3 Fields: Impact of rocuronium vs su…
…thin the general patterns of H–p bonding, that is, regions of charge context of quantum theory of atoms in molecules (QTAIM).[18] concentration between the hydrogen and the cage (blue re- Our previous studies demonstrated that delocalization index gions in the EDD maps of the sys…
…ription of tunnelling phenomena in the semi-classical approximation in ordinary quantum mechanics and in quantum field theory. In particular, we describe in detail the calculation, up to the first quantum corrections, of the decay probability per unit time of a metastable ground …
…built-up using open source code components and are implemented as a plug-in for Quantum GIS software for easy handling of the classification process from the user’s perspective. Keywords: TWOPAC; land cover and land use; automated processing; supervised; decision tree; web proces…
…act: In this study, a detailed topological charge density analysis based on the quantum theory of atoms in mole- cules (QTAIM) developed by Bader and co-workers, has been accomplished (using the B3LYP method) on the CB62– anion and three planar isomers of the C3B4 species, which …
…778443 . View in: PubMed Mentions: 92 Fields: Translation: Humans Animals Cells Quantum mechanics/molecular mechanics modeling of fatty acid amide hydrolase reactivation distinguishes substrate from irreversible covalent inhibitors. J Med Chem. 2013 Mar 28; 56(6):2500-12. Lodola …
…ors are also shown to be parallel to the intermolecular delocalization index of Quantum Theory of Atoms in Molecules, which measures the covalency of an intermolecular interaction. 1. INTRODUCTION Scheme 1. Keto (K) and Enol (E) Tautomeric Forms of Polymorphism, the ability of a …
…apply physics-based and data-driven computational methods on both classical and quantum computers to understand multiscale processes, from electronic structures to emergent properties. We develop design strategies for molecules, materials, and processes that matter in renewable e…
…] Jivet, I.; Wong, J.; Scheffel, M.; Valle Torre, M.; Specht, M.; Drachsler, H. Quantum of choice: How learners’ feedback monitoring decisions, goals and self-regulated learning skills are related. In Proceedings of the LAK21: 11th International Learning Analytics and Knowledge C…
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… holism is taken to an extreme: some notable philosophers seek to make sense of quantum physics by adopting Cosmic Holism, in which the world is a single substance, arguing that ‘folk theories’ like hylomorphism involve ‘a benighted teleological view of nature’. The aim of this p…
…7 Self-organized sperm vortex arrays Science 2005 Electron transmission through quantum barriers Phys Rev B 2001 CV: Professor, Molecular and Cellular Biology, University of Arizona, Tucson, USA Associate Professor, Molecular and Cellular Biology, University of Arizona, Tucson, U…