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Concept

Electron pair

Related publications (25)

Kinetic and Mechanistic Investigations of the Oxidation of Tramadol by Ferrate and Ozone

Urs von Gunten, Saskia Gisela Zimmermann-Steffens

The kinetics and oxidation products (OPs) of tramadol (TRA), an opioid, were investigated for its oxidation with ferrate (Fe(VI)) and ozone (O-3). The kinetics could be explained by the speciation of the tertiary amine moiety of TRA, with apparent second-o ...

2012

Exohedral Hydrogen Chemisorption on a Carbon Nanotube: The Clustering Effect

Wanda Andreoni, Fabio Pietrucci, Alessandro Curioni

Density functional theory-based calculations of the (10,0) zigzag single-walled carbon nanotube with hydrogen chemisorbed exohedrally show that electron pairing and strain minimization lead hydrogen atoms to cluster and preferentially sit in axial configur ...

2012

How Space-Filling Is a Pyridine Lone Pair?

The torsional barriers of 2'-substituted 2-arylpyridines have been probed experimentally (by using dynamic NMR spectroscopy) and computationally (by using density functional theory). Due to the compressibility of the lone pair, the torsional barriers of th ...

2011

Synthesis, Crystal Structure, and Magnetic Properties of the Copper Selenite Chloride Cu-5(SeO3)(4)Cl-2

Helmuth Berger, Dong Zhang

A new copper selenite chloride Cu-5(SeO3)(4)Cl-2 has been prepared by chemical vapor transport reactions. Its crystal structure was determined by single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic space group P2(1)/c with t ...

2010

Fulde-Ferrell-Larkin-Ovchinnikov state in the one-dimensional attractive Hubbard model and its fingerprint in spatial noise correlations

We explore the pairing properties of the one-dimensional attractive Hubbard model in the presence of finite spin polarization. The correlation exponents for the most important fluctuations are determined as a function of the density and the polarization. W ...

2008